5-benzyl-N-[(3R)-7-[(Z)-2-chloro-3-hydroxy-3-methylbut-1-enyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[7-[(Z)-2-chloro-3-hydroxy-3-methylbut-1-enyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3R)-5-ethyl-7-(3-hydroxy-3-methylbut-1-ynyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3R)-7-(3-methylbut-3-en-1-ynyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[7-(3-methylbut-3-en-1-ynyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;N-[(3R)-5-ethyl-7-(3-hydroxy-3-methylbut-1-ynyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazole-3-carboxamide;N-[5-ethyl-7-(3-hydroxy-3-methylbut-1-ynyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazole-3-carboxamide

C176H173Cl2F2N35O26 — CID 158969780

About 5-benzyl-N-[(3R)-7-[(Z)-2-chloro-3-hydroxy-3-methylbut-1-enyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[7-[(Z)-2-chloro-3-hydroxy-3-methylbut-1-enyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3R)-5-ethyl-7-(3-hydroxy-3-methylbut-1-ynyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3R)-7-(3-methylbut-3-en-1-ynyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[7-(3-methylbut-3-en-1-ynyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;N-[(3R)-5-ethyl-7-(3-hydroxy-3-methylbut-1-ynyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazole-3-carboxamide;N-[5-ethyl-7-(3-hydroxy-3-methylbut-1-ynyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazole-3-carboxamide

5-benzyl-N-[(3R)-7-[(Z)-2-chloro-3-hydroxy-3-methylbut-1-enyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[7-[(Z)-2-chloro-3-hydroxy-3-methylbut-1-enyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3R)-5-ethyl-7-(3-hydroxy-3-methylbut-1-ynyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3R)-7-(3-methylbut-3-en-1-ynyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[7-(3-methylbut-3-en-1-ynyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;N-[(3R)-5-ethyl-7-(3-hydroxy-3-methylbut-1-ynyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazole-3-carboxamide;N-[5-ethyl-7-(3-hydroxy-3-methylbut-1-ynyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazole-3-carboxamide (PubChem CID 158969780) has the molecular formula C176H173Cl2F2N35O26 and a molecular weight of 3303.44 g/mol. Its IUPAC name is 5-benzyl-N-[(3R)-7-[(Z)-2-chloro-3-hydroxy-3-methylbut-1-enyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[7-[(Z)-2-chloro-3-hydroxy-3-methylbut-1-enyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3R)-5-ethyl-7-(3-hydroxy-3-methylbut-1-ynyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3R)-7-(3-methylbut-3-en-1-ynyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[7-(3-methylbut-3-en-1-ynyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;N-[(3R)-5-ethyl-7-(3-hydroxy-3-methylbut-1-ynyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazole-3-carboxamide;N-[5-ethyl-7-(3-hydroxy-3-methylbut-1-ynyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-benzyl-N-[(3R)-7-[(Z)-2-chloro-3-hydroxy-3-methylbut-1-enyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[7-[(Z)-2-chloro-3-hydroxy-3-methylbut-1-enyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3R)-5-ethyl-7-(3-hydroxy-3-methylbut-1-ynyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3R)-7-(3-methylbut-3-en-1-ynyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[7-(3-methylbut-3-en-1-ynyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;N-[(3R)-5-ethyl-7-(3-hydroxy-3-methylbut-1-ynyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazole-3-carboxamide;N-[5-ethyl-7-(3-hydroxy-3-methylbut-1-ynyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazole-3-carboxamide
• PubChem CID: 158969780
• Molecular Formula: C176H173Cl2F2N35O26
• Molecular Weight: 3303.44 g/mol
• Exact Mass: 3300.26
• IUPAC Name: 5-benzyl-N-[(3R)-7-[(Z)-2-chloro-3-hydroxy-3-methylbut-1-enyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[7-[(Z)-2-chloro-3-hydroxy-3-methylbut-1-enyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3R)-5-ethyl-7-(3-hydroxy-3-methylbut-1-ynyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3R)-7-(3-methylbut-3-en-1-ynyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[7-(3-methylbut-3-en-1-ynyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;N-[(3R)-5-ethyl-7-(3-hydroxy-3-methylbut-1-ynyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazole-3-carboxamide;N-[5-ethyl-7-(3-hydroxy-3-methylbut-1-ynyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazole-3-carboxamide
• SMILES: C=C(C)C#Cc1ccc2c(c1)NC(=O)C(NC(=O)c1n[nH]c(Cc3ccccc3)n1)CO2.C=C(C)C#Cc1ccc2c(c1)NC(=O)[C@H](NC(=O)c1n[nH]c(Cc3ccccc3)n1)CO2.CCN1C(=O)C(NC(=O)c2n[nH]c(Cc3cccc(F)c3)n2)COc2ccc(C#CC(C)(C)O)cc21.CCN1C(=O)[C@H](NC(=O)c2n[nH]c(Cc3cccc(F)c3)n2)COc2ccc(C#CC(C)(C)O)cc21.CCN1C(=O)[C@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)COc2ccc(C#CC(C)(C)O)cc21.CN1C(=O)C(NC(=O)c2n[nH]c(Cc3ccccc3)n2)COc2ccc(/C=C(\Cl)C(C)(C)O)cc21.CN1C(=O)[C@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)COc2ccc(/C=C(\Cl)C(C)(C)O)cc21
• InChI: InChI=1S/2C26H26FN5O4.C26H27N5O4.2C25H26ClN5O4.2C24H21N5O3/c2*1-4-32-20-13-16(10-11-26(2,3)35)8-9-21(20)36-15-19(25(32)34)28-24(33)23-29-22(30-31-23)14-17-6-5-7-18(27)12-17;1-4-31-20-14-18(12-13-26(2,3)34)10-11-21(20)35-16-19(25(31)33)27-24(32)23-28-22(29-30-23)15-17-8-6-5-7-9-17;2*1-25(2,34)20(26)12-16-9-10-19-18(11-16)31(3)24(33)17(14-35-19)27-23(32)22-28-21(29-30-22)13-15-7-5-4-6-8-15;2*1-15(2)8-9-17-10-11-20-18(12-17)25-23(30)19(14-32-20)26-24(31)22-27-21(28-29-22)13-16-6-4-3-5-7-16/h2*5-9,12-13,19,35H,4,14-15H2,1-3H3,(H,28,33)(H,29,30,31);5-11,14,19,34H,4,15-16H2,1-3H3,(H,27,32)(H,28,29,30);2*4-12,17,34H,13-14H2,1-3H3,(H,27,32)(H,28,29,30);2*3-7,10-12,19H,1,13-14H2,2H3,(H,25,30)(H,26,31)(H,27,28,29)/b;;;2*20-12-;;/t19-;;19-;17-;;19-;/m1.11.1./s1
• InChIKey: JNQSWTKUCWVZCW-QLVOVLHNSA-N
• XLogP: 17.17
• TPSA: 820.20 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 40
• Rotatable Bonds: 35
• Heavy Atoms: 241
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3303.44
LogP ≤ 5	17.17
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-[(3R)-7-[(Z)-2-chloro-3-hydroxy-3-methylbut-1-enyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[7-[(Z)-2-chloro-3-hydroxy-3-methylbut-1-enyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3R)-5-ethyl-7-(3-hydroxy-3-methylbut-1-ynyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3R)-7-(3-methylbut-3-en-1-ynyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[7-(3-methylbut-3-en-1-ynyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;N-[(3R)-5-ethyl-7-(3-hydroxy-3-methylbut-1-ynyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazole-3-carboxamide;N-[5-ethyl-7-(3-hydroxy-3-methylbut-1-ynyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazole-3-carboxamide?

The IUPAC name of 5-benzyl-N-[(3R)-7-[(Z)-2-chloro-3-hydroxy-3-methylbut-1-enyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[7-[(Z)-2-chloro-3-hydroxy-3-methylbut-1-enyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3R)-5-ethyl-7-(3-hydroxy-3-methylbut-1-ynyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3R)-7-(3-methylbut-3-en-1-ynyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[7-(3-methylbut-3-en-1-ynyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;N-[(3R)-5-ethyl-7-(3-hydroxy-3-methylbut-1-ynyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazole-3-carboxamide;N-[5-ethyl-7-(3-hydroxy-3-methylbut-1-ynyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazole-3-carboxamide (CID 158969780) is 5-benzyl-N-[(3R)-7-[(Z)-2-chloro-3-hydroxy-3-methylbut-1-enyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[7-[(Z)-2-chloro-3-hydroxy-3-methylbut-1-enyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3R)-5-ethyl-7-(3-hydroxy-3-methylbut-1-ynyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3R)-7-(3-methylbut-3-en-1-ynyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[7-(3-methylbut-3-en-1-ynyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;N-[(3R)-5-ethyl-7-(3-hydroxy-3-methylbut-1-ynyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazole-3-carboxamide;N-[5-ethyl-7-(3-hydroxy-3-methylbut-1-ynyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazole-3-carboxamide.

What is the SMILES notation for 5-benzyl-N-[(3R)-7-[(Z)-2-chloro-3-hydroxy-3-methylbut-1-enyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[7-[(Z)-2-chloro-3-hydroxy-3-methylbut-1-enyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3R)-5-ethyl-7-(3-hydroxy-3-methylbut-1-ynyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3R)-7-(3-methylbut-3-en-1-ynyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[7-(3-methylbut-3-en-1-ynyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;N-[(3R)-5-ethyl-7-(3-hydroxy-3-methylbut-1-ynyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazole-3-carboxamide;N-[5-ethyl-7-(3-hydroxy-3-methylbut-1-ynyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazole-3-carboxamide?

The canonical SMILES for 5-benzyl-N-[(3R)-7-[(Z)-2-chloro-3-hydroxy-3-methylbut-1-enyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[7-[(Z)-2-chloro-3-hydroxy-3-methylbut-1-enyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3R)-5-ethyl-7-(3-hydroxy-3-methylbut-1-ynyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3R)-7-(3-methylbut-3-en-1-ynyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[7-(3-methylbut-3-en-1-ynyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;N-[(3R)-5-ethyl-7-(3-hydroxy-3-methylbut-1-ynyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazole-3-carboxamide;N-[5-ethyl-7-(3-hydroxy-3-methylbut-1-ynyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazole-3-carboxamide is C=C(C)C#Cc1ccc2c(c1)NC(=O)C(NC(=O)c1n[nH]c(Cc3ccccc3)n1)CO2.C=C(C)C#Cc1ccc2c(c1)NC(=O)[C@H](NC(=O)c1n[nH]c(Cc3ccccc3)n1)CO2.CCN1C(=O)C(NC(=O)c2n[nH]c(Cc3cccc(F)c3)n2)COc2ccc(C#CC(C)(C)O)cc21.CCN1C(=O)[C@H](NC(=O)c2n[nH]c(Cc3cccc(F)c3)n2)COc2ccc(C#CC(C)(C)O)cc21.CCN1C(=O)[C@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)COc2ccc(C#CC(C)(C)O)cc21.CN1C(=O)C(NC(=O)c2n[nH]c(Cc3ccccc3)n2)COc2ccc(/C=C(\Cl)C(C)(C)O)cc21.CN1C(=O)[C@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)COc2ccc(/C=C(\Cl)C(C)(C)O)cc21.

What is the InChIKey of 5-benzyl-N-[(3R)-7-[(Z)-2-chloro-3-hydroxy-3-methylbut-1-enyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[7-[(Z)-2-chloro-3-hydroxy-3-methylbut-1-enyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3R)-5-ethyl-7-(3-hydroxy-3-methylbut-1-ynyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3R)-7-(3-methylbut-3-en-1-ynyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[7-(3-methylbut-3-en-1-ynyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;N-[(3R)-5-ethyl-7-(3-hydroxy-3-methylbut-1-ynyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazole-3-carboxamide;N-[5-ethyl-7-(3-hydroxy-3-methylbut-1-ynyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazole-3-carboxamide?

The InChIKey is JNQSWTKUCWVZCW-QLVOVLHNSA-N. The full InChI is InChI=1S/2C26H26FN5O4.C26H27N5O4.2C25H26ClN5O4.2C24H21N5O3/c2*1-4-32-20-13-16(10-11-26(2,3)35)8-9-21(20)36-15-19(25(32)34)28-24(33)23-29-22(30-31-23)14-17-6-5-7-18(27)12-17;1-4-31-20-14-18(12-13-26(2,3)34)10-11-21(20)35-16-19(25(31)33)27-24(32)23-28-22(29-30-23)15-17-8-6-5-7-9-17;2*1-25(2,34)20(26)12-16-9-10-19-18(11-16)31(3)24(33)17(14-35-19)27-23(32)22-28-21(29-30-22)13-15-7-5-4-6-8-15;2*1-15(2)8-9-17-10-11-20-18(12-17)25-23(30)19(14-32-20)26-24(31)22-27-21(28-29-22)13-16-6-4-3-5-7-16/h2*5-9,12-13,19,35H,4,14-15H2,1-3H3,(H,28,33)(H,29,30,31);5-11,14,19,34H,4,15-16H2,1-3H3,(H,27,32)(H,28,29,30);2*4-12,17,34H,13-14H2,1-3H3,(H,27,32)(H,28,29,30);2*3-7,10-12,19H,1,13-14H2,2H3,(H,25,30)(H,26,31)(H,27,28,29)/b;;;2*20-12-;;/t19-;;19-;17-;;19-;/m1.11.1./s1.

What are the key properties of 5-benzyl-N-[(3R)-7-[(Z)-2-chloro-3-hydroxy-3-methylbut-1-enyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[7-[(Z)-2-chloro-3-hydroxy-3-methylbut-1-enyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3R)-5-ethyl-7-(3-hydroxy-3-methylbut-1-ynyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3R)-7-(3-methylbut-3-en-1-ynyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[7-(3-methylbut-3-en-1-ynyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;N-[(3R)-5-ethyl-7-(3-hydroxy-3-methylbut-1-ynyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazole-3-carboxamide;N-[5-ethyl-7-(3-hydroxy-3-methylbut-1-ynyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazole-3-carboxamide?

5-benzyl-N-[(3R)-7-[(Z)-2-chloro-3-hydroxy-3-methylbut-1-enyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[7-[(Z)-2-chloro-3-hydroxy-3-methylbut-1-enyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3R)-5-ethyl-7-(3-hydroxy-3-methylbut-1-ynyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3R)-7-(3-methylbut-3-en-1-ynyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[7-(3-methylbut-3-en-1-ynyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;N-[(3R)-5-ethyl-7-(3-hydroxy-3-methylbut-1-ynyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazole-3-carboxamide;N-[5-ethyl-7-(3-hydroxy-3-methylbut-1-ynyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 3303.44 g/mol, XLogP of 17.17, 35 rotatable bonds, 21 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzyl-N-[(3R)-7-[(Z)-2-chloro-3-hydroxy-3-methylbut-1-enyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[7-[(Z)-2-chloro-3-hydroxy-3-methylbut-1-enyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3R)-5-ethyl-7-(3-hydroxy-3-methylbut-1-ynyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[(3R)-7-(3-methylbut-3-en-1-ynyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-benzyl-N-[7-(3-methylbut-3-en-1-ynyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;N-[(3R)-5-ethyl-7-(3-hydroxy-3-methylbut-1-ynyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazole-3-carboxamide;N-[5-ethyl-7-(3-hydroxy-3-methylbut-1-ynyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 158969780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).