5-bromo-15-chloro-9-(ethoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-bromo-15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;[9-bromo-5-[(4-methylphenyl)methyl]-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-16-yl]methanol;15-chloro-5-(ethoxymethyl)-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;(4-chlorophenyl)-(9-ethynyl-16-methyl-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-5-yl)methanone;(9-ethynyl-16-methyl-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-5-yl)-(4-fluorophenyl)methanone

C111H88Br3Cl4FN30O7 — CID 157094597

About 5-bromo-15-chloro-9-(ethoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-bromo-15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;[9-bromo-5-[(4-methylphenyl)methyl]-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-16-yl]methanol;15-chloro-5-(ethoxymethyl)-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;(4-chlorophenyl)-(9-ethynyl-16-methyl-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-5-yl)methanone;(9-ethynyl-16-methyl-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-5-yl)-(4-fluorophenyl)methanone

5-bromo-15-chloro-9-(ethoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-bromo-15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;[9-bromo-5-[(4-methylphenyl)methyl]-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-16-yl]methanol;15-chloro-5-(ethoxymethyl)-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;(4-chlorophenyl)-(9-ethynyl-16-methyl-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-5-yl)methanone;(9-ethynyl-16-methyl-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-5-yl)-(4-fluorophenyl)methanone (PubChem CID 157094597) has the molecular formula C111H88Br3Cl4FN30O7 and a molecular weight of 2354.65 g/mol. Its IUPAC name is 5-bromo-15-chloro-9-(ethoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-bromo-15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;[9-bromo-5-[(4-methylphenyl)methyl]-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-16-yl]methanol;15-chloro-5-(ethoxymethyl)-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;(4-chlorophenyl)-(9-ethynyl-16-methyl-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-5-yl)methanone;(9-ethynyl-16-methyl-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-5-yl)-(4-fluorophenyl)methanone.

Molecular Properties

• Compound Name: 5-bromo-15-chloro-9-(ethoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-bromo-15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;[9-bromo-5-[(4-methylphenyl)methyl]-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-16-yl]methanol;15-chloro-5-(ethoxymethyl)-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;(4-chlorophenyl)-(9-ethynyl-16-methyl-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-5-yl)methanone;(9-ethynyl-16-methyl-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-5-yl)-(4-fluorophenyl)methanone
• PubChem CID: 157094597
• Molecular Formula: C111H88Br3Cl4FN30O7
• Molecular Weight: 2354.65 g/mol
• Exact Mass: 2348.37
• IUPAC Name: 5-bromo-15-chloro-9-(ethoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-bromo-15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;[9-bromo-5-[(4-methylphenyl)methyl]-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-16-yl]methanol;15-chloro-5-(ethoxymethyl)-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;(4-chlorophenyl)-(9-ethynyl-16-methyl-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-5-yl)methanone;(9-ethynyl-16-methyl-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-5-yl)-(4-fluorophenyl)methanone
• SMILES: C#Cc1ncn2c1Cc1c(C(=O)c3ccc(Cl)cc3)nnn1-c1cc(C)ccc1-2.C#Cc1ncn2c1Cc1c(C(=O)c3ccc(F)cc3)nnn1-c1cc(C)ccc1-2.CCOCc1ncn2c1Cn1c(COC)nnc1-c1cc(Cl)ccc1-2.CCOCc1nnc2n1Cc1c(Br)ncn1-c1ccc(Cl)cc1-2.COCc1nnc2n1Cc1c(Br)ncn1-c1ccc(Cl)cc1-2.Cc1ccc(Cc2nnn3c2Cc2c(Br)ncn2-c2ccc(CO)cc2-3)cc1
• InChI: InChI=1S/C22H14ClN5O.C22H14FN5O.C21H18BrN5O.C17H18ClN5O2.C15H13BrClN5O.C14H11BrClN5O/c2*1-3-16-18-11-20-21(22(29)14-5-7-15(23)8-6-14)25-26-28(20)19-10-13(2)4-9-17(19)27(18)12-24-16;1-13-2-4-14(5-3-13)8-16-18-10-20-21(22)23-12-26(20)17-7-6-15(11-28)9-19(17)27(18)25-24-16;1-3-25-8-13-15-7-22-16(9-24-2)20-21-17(22)12-6-11(18)4-5-14(12)23(15)10-19-13;1-2-23-7-13-19-20-15-10-5-9(17)3-4-11(10)22-8-18-14(16)12(22)6-21(13)15;1-22-6-12-18-19-14-9-4-8(16)2-3-10(9)21-7-17-13(15)11(21)5-20(12)14/h2*1,4-10,12H,11H2,2H3;2-7,9,12,28H,8,10-11H2,1H3;4-6,10H,3,7-9H2,1-2H3;3-5,8H,2,6-7H2,1H3;2-4,7H,5-6H2,1H3
• InChIKey: AFBFPJSPEPFCDK-UHFFFAOYSA-N
• XLogP: 19.39
• TPSA: 382.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 37
• Rotatable Bonds: 17
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2354.65
LogP ≤ 5	19.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-15-chloro-9-(ethoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-bromo-15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;[9-bromo-5-[(4-methylphenyl)methyl]-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-16-yl]methanol;15-chloro-5-(ethoxymethyl)-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;(4-chlorophenyl)-(9-ethynyl-16-methyl-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-5-yl)methanone;(9-ethynyl-16-methyl-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-5-yl)-(4-fluorophenyl)methanone?

The IUPAC name of 5-bromo-15-chloro-9-(ethoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-bromo-15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;[9-bromo-5-[(4-methylphenyl)methyl]-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-16-yl]methanol;15-chloro-5-(ethoxymethyl)-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;(4-chlorophenyl)-(9-ethynyl-16-methyl-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-5-yl)methanone;(9-ethynyl-16-methyl-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-5-yl)-(4-fluorophenyl)methanone (CID 157094597) is 5-bromo-15-chloro-9-(ethoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-bromo-15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;[9-bromo-5-[(4-methylphenyl)methyl]-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-16-yl]methanol;15-chloro-5-(ethoxymethyl)-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;(4-chlorophenyl)-(9-ethynyl-16-methyl-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-5-yl)methanone;(9-ethynyl-16-methyl-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-5-yl)-(4-fluorophenyl)methanone.

What is the SMILES notation for 5-bromo-15-chloro-9-(ethoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-bromo-15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;[9-bromo-5-[(4-methylphenyl)methyl]-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-16-yl]methanol;15-chloro-5-(ethoxymethyl)-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;(4-chlorophenyl)-(9-ethynyl-16-methyl-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-5-yl)methanone;(9-ethynyl-16-methyl-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-5-yl)-(4-fluorophenyl)methanone?

The canonical SMILES for 5-bromo-15-chloro-9-(ethoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-bromo-15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;[9-bromo-5-[(4-methylphenyl)methyl]-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-16-yl]methanol;15-chloro-5-(ethoxymethyl)-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;(4-chlorophenyl)-(9-ethynyl-16-methyl-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-5-yl)methanone;(9-ethynyl-16-methyl-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-5-yl)-(4-fluorophenyl)methanone is C#Cc1ncn2c1Cc1c(C(=O)c3ccc(Cl)cc3)nnn1-c1cc(C)ccc1-2.C#Cc1ncn2c1Cc1c(C(=O)c3ccc(F)cc3)nnn1-c1cc(C)ccc1-2.CCOCc1ncn2c1Cn1c(COC)nnc1-c1cc(Cl)ccc1-2.CCOCc1nnc2n1Cc1c(Br)ncn1-c1ccc(Cl)cc1-2.COCc1nnc2n1Cc1c(Br)ncn1-c1ccc(Cl)cc1-2.Cc1ccc(Cc2nnn3c2Cc2c(Br)ncn2-c2ccc(CO)cc2-3)cc1.

What is the InChIKey of 5-bromo-15-chloro-9-(ethoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-bromo-15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;[9-bromo-5-[(4-methylphenyl)methyl]-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-16-yl]methanol;15-chloro-5-(ethoxymethyl)-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;(4-chlorophenyl)-(9-ethynyl-16-methyl-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-5-yl)methanone;(9-ethynyl-16-methyl-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-5-yl)-(4-fluorophenyl)methanone?

The InChIKey is AFBFPJSPEPFCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClN5O.C22H14FN5O.C21H18BrN5O.C17H18ClN5O2.C15H13BrClN5O.C14H11BrClN5O/c2*1-3-16-18-11-20-21(22(29)14-5-7-15(23)8-6-14)25-26-28(20)19-10-13(2)4-9-17(19)27(18)12-24-16;1-13-2-4-14(5-3-13)8-16-18-10-20-21(22)23-12-26(20)17-7-6-15(11-28)9-19(17)27(18)25-24-16;1-3-25-8-13-15-7-22-16(9-24-2)20-21-17(22)12-6-11(18)4-5-14(12)23(15)10-19-13;1-2-23-7-13-19-20-15-10-5-9(17)3-4-11(10)22-8-18-14(16)12(22)6-21(13)15;1-22-6-12-18-19-14-9-4-8(16)2-3-10(9)21-7-17-13(15)11(21)5-20(12)14/h2*1,4-10,12H,11H2,2H3;2-7,9,12,28H,8,10-11H2,1H3;4-6,10H,3,7-9H2,1-2H3;3-5,8H,2,6-7H2,1H3;2-4,7H,5-6H2,1H3.

What are the key properties of 5-bromo-15-chloro-9-(ethoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-bromo-15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;[9-bromo-5-[(4-methylphenyl)methyl]-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-16-yl]methanol;15-chloro-5-(ethoxymethyl)-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;(4-chlorophenyl)-(9-ethynyl-16-methyl-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-5-yl)methanone;(9-ethynyl-16-methyl-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-5-yl)-(4-fluorophenyl)methanone?

5-bromo-15-chloro-9-(ethoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-bromo-15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;[9-bromo-5-[(4-methylphenyl)methyl]-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-16-yl]methanol;15-chloro-5-(ethoxymethyl)-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;(4-chlorophenyl)-(9-ethynyl-16-methyl-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-5-yl)methanone;(9-ethynyl-16-methyl-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-5-yl)-(4-fluorophenyl)methanone has a molecular weight of 2354.65 g/mol, XLogP of 19.39, 17 rotatable bonds, 1 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-15-chloro-9-(ethoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-bromo-15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;[9-bromo-5-[(4-methylphenyl)methyl]-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-16-yl]methanol;15-chloro-5-(ethoxymethyl)-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;(4-chlorophenyl)-(9-ethynyl-16-methyl-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-5-yl)methanone;(9-ethynyl-16-methyl-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaen-5-yl)-(4-fluorophenyl)methanone is sourced from PubChem (CID 157094597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).