1-[4-(benzo[f][1,3]benzodioxole-2-carbonylamino)-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[(2-cyclohexyloxyacetyl)amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[[2-(2,4-dichloro-5-methylphenyl)sulfanylacetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide

C119H141Cl2N15O15S — CID 159134110

IUPAC1-[4-(benzo[f][1,3]benzodioxole-2-carbonylamino)-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[(2-cyclohexyloxyacetyl)amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[[2-(2,4-dichloro-5-methylphenyl)sulfanylacetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide
SMILESCCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)C3Oc4cc5ccccc5cc4O3)cc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1.CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)COC3CCCCC3)cc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1.CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)CSc3cc(C)c(Cl)cc3Cl)cc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1
InChIInChI=1S/C42H45N5O6.C39H45Cl2N5O4S.C38H51N5O5/c1-4-6-18-45(19-7-5-2)41(51)35-20-27(3)47(44-35)36-17-16-32(24-34(36)40(50)46-25-31-15-11-10-12-28(31)21-33(46)26-48)43-39(49)42-52-37-22-29-13-8-9-14-30(29)23-38(37)53-42;1-5-7-15-44(16-8-6-2)39(50)34-18-26(4)46(43-34)35-14-13-29(42-37(48)24-51-36-17-25(3)32(40)21-33(36)41)20-31(35)38(49)45-22-28-12-10-9-11-27(28)19-30(45)23-47;1-4-6-19-41(20-7-5-2)38(47)34-21-27(3)43(40-34)35-18-17-30(39-36(45)26-48-32-15-9-8-10-16-32)23-33(35)37(46)42-24-29-14-12-11-13-28(29)22-31(42)25-44/h8-17,20,22-24,33,42,48H,4-7,18-19,21,25-26H2,1-3H3,(H,43,49);9-14,17-18,20-21,30,47H,5-8,15-16,19,22-24H2,1-4H3,(H,42,48);11-14,17-18,21,23,31-32,44H,4-10,15-16,19-20,22,24-26H2,1-3H3,(H,39,45)/t33-;30-;31-/m000/s1
InChIKeyKHGLSBSKCRNIKY-DIWUPRHVSA-N
MW2124.50 g/mol
LogP20.87
Rot. Bonds40

About 1-[4-(benzo[f][1,3]benzodioxole-2-carbonylamino)-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[(2-cyclohexyloxyacetyl)amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[[2-(2,4-dichloro-5-methylphenyl)sulfanylacetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide

1-[4-(benzo[f][1,3]benzodioxole-2-carbonylamino)-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[(2-cyclohexyloxyacetyl)amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[[2-(2,4-dichloro-5-methylphenyl)sulfanylacetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide (PubChem CID 159134110) has the molecular formula C119H141Cl2N15O15S and a molecular weight of 2124.50 g/mol. Its IUPAC name is 1-[4-(benzo[f][1,3]benzodioxole-2-carbonylamino)-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[(2-cyclohexyloxyacetyl)amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[[2-(2,4-dichloro-5-methylphenyl)sulfanylacetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[4-(benzo[f][1,3]benzodioxole-2-carbonylamino)-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[(2-cyclohexyloxyacetyl)amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[[2-(2,4-dichloro-5-methylphenyl)sulfanylacetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide
PubChem CID159134110
Molecular FormulaC119H141Cl2N15O15S
Molecular Weight2124.50 g/mol
Exact Mass2121.98
IUPAC Name1-[4-(benzo[f][1,3]benzodioxole-2-carbonylamino)-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[(2-cyclohexyloxyacetyl)amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[[2-(2,4-dichloro-5-methylphenyl)sulfanylacetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide
SMILESCCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)C3Oc4cc5ccccc5cc4O3)cc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1.CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)COC3CCCCC3)cc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1.CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)CSc3cc(C)c(Cl)cc3Cl)cc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1
InChIInChI=1S/C42H45N5O6.C39H45Cl2N5O4S.C38H51N5O5/c1-4-6-18-45(19-7-5-2)41(51)35-20-27(3)47(44-35)36-17-16-32(24-34(36)40(50)46-25-31-15-11-10-12-28(31)21-33(46)26-48)43-39(49)42-52-37-22-29-13-8-9-14-30(29)23-38(37)53-42;1-5-7-15-44(16-8-6-2)39(50)34-18-26(4)46(43-34)35-14-13-29(42-37(48)24-51-36-17-25(3)32(40)21-33(36)41)20-31(35)38(49)45-22-28-12-10-9-11-27(28)19-30(45)23-47;1-4-6-19-41(20-7-5-2)38(47)34-21-27(3)43(40-34)35-18-17-30(39-36(45)26-48-32-15-9-8-10-16-32)23-33(35)37(46)42-24-29-14-12-11-13-28(29)22-31(42)25-44/h8-17,20,22-24,33,42,48H,4-7,18-19,21,25-26H2,1-3H3,(H,43,49);9-14,17-18,20-21,30,47H,5-8,15-16,19,22-24H2,1-4H3,(H,42,48);11-14,17-18,21,23,31-32,44H,4-10,15-16,19-20,22,24-26H2,1-3H3,(H,39,45)/t33-;30-;31-/m000/s1
InChIKeyKHGLSBSKCRNIKY-DIWUPRHVSA-N
XLogP20.87
TPSA351.00 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds40
Heavy Atoms152
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002124.50
LogP ≤ 520.87
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Analyze 1-[4-(benzo[f][1,3]benzodioxole-2-carbonylamino)-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[(2-cyclohexyloxyacetyl)amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[[2-(2,4-dichloro-5-methylphenyl)sulfanylacetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide with MolForge

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Related Compounds

1-[4-[[2-(3-bromo-4-methoxyphenyl)acetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[[2-(2,4-dichloro-5-methylphenyl)sulfanylacetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[3-(2,3-dihydro-1-benzofuran-3-yl)propanoylamino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 158305306
N,N-dibutyl-1-[4-[[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-(3-naphthalen-2-ylsulfanylpropanoylamino)phenyl]-5-methylpyrazole-3-carboxamide
CID 159227908
N,N-dibutyl-1-[4-[(2-cyclohexyloxyacetyl)amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[[2-(2,4-dichloro-5-methylphenyl)sulfanylacetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[3-(2,3-dihydro-1-benzofuran-3-yl)propanoylamino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 159672957
1-[4-(benzo[f][1,3]benzodioxole-2-carbonylamino)-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[[2-(2,4-dichloro-5-methylphenyl)sulfanylacetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[(2-phenoxybenzoyl)amino]phenyl]-5-methylpyrazole-3-carboxamide
CID 161004470

Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzo[f][1,3]benzodioxole-2-carbonylamino)-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[(2-cyclohexyloxyacetyl)amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[[2-(2,4-dichloro-5-methylphenyl)sulfanylacetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide?
The IUPAC name of 1-[4-(benzo[f][1,3]benzodioxole-2-carbonylamino)-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[(2-cyclohexyloxyacetyl)amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[[2-(2,4-dichloro-5-methylphenyl)sulfanylacetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide (CID 159134110) is 1-[4-(benzo[f][1,3]benzodioxole-2-carbonylamino)-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[(2-cyclohexyloxyacetyl)amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[[2-(2,4-dichloro-5-methylphenyl)sulfanylacetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[4-(benzo[f][1,3]benzodioxole-2-carbonylamino)-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[(2-cyclohexyloxyacetyl)amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[[2-(2,4-dichloro-5-methylphenyl)sulfanylacetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-[4-(benzo[f][1,3]benzodioxole-2-carbonylamino)-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[(2-cyclohexyloxyacetyl)amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[[2-(2,4-dichloro-5-methylphenyl)sulfanylacetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide is CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)C3Oc4cc5ccccc5cc4O3)cc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1.CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)COC3CCCCC3)cc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1.CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)CSc3cc(C)c(Cl)cc3Cl)cc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1.
What is the InChIKey of 1-[4-(benzo[f][1,3]benzodioxole-2-carbonylamino)-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[(2-cyclohexyloxyacetyl)amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[[2-(2,4-dichloro-5-methylphenyl)sulfanylacetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide?
The InChIKey is KHGLSBSKCRNIKY-DIWUPRHVSA-N. The full InChI is InChI=1S/C42H45N5O6.C39H45Cl2N5O4S.C38H51N5O5/c1-4-6-18-45(19-7-5-2)41(51)35-20-27(3)47(44-35)36-17-16-32(24-34(36)40(50)46-25-31-15-11-10-12-28(31)21-33(46)26-48)43-39(49)42-52-37-22-29-13-8-9-14-30(29)23-38(37)53-42;1-5-7-15-44(16-8-6-2)39(50)34-18-26(4)46(43-34)35-14-13-29(42-37(48)24-51-36-17-25(3)32(40)21-33(36)41)20-31(35)38(49)45-22-28-12-10-9-11-27(28)19-30(45)23-47;1-4-6-19-41(20-7-5-2)38(47)34-21-27(3)43(40-34)35-18-17-30(39-36(45)26-48-32-15-9-8-10-16-32)23-33(35)37(46)42-24-29-14-12-11-13-28(29)22-31(42)25-44/h8-17,20,22-24,33,42,48H,4-7,18-19,21,25-26H2,1-3H3,(H,43,49);9-14,17-18,20-21,30,47H,5-8,15-16,19,22-24H2,1-4H3,(H,42,48);11-14,17-18,21,23,31-32,44H,4-10,15-16,19-20,22,24-26H2,1-3H3,(H,39,45)/t33-;30-;31-/m000/s1.
What are the key properties of 1-[4-(benzo[f][1,3]benzodioxole-2-carbonylamino)-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[(2-cyclohexyloxyacetyl)amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[[2-(2,4-dichloro-5-methylphenyl)sulfanylacetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide?
1-[4-(benzo[f][1,3]benzodioxole-2-carbonylamino)-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[(2-cyclohexyloxyacetyl)amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[[2-(2,4-dichloro-5-methylphenyl)sulfanylacetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide has a molecular weight of 2124.50 g/mol, XLogP of 20.87, 40 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzo[f][1,3]benzodioxole-2-carbonylamino)-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[(2-cyclohexyloxyacetyl)amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[4-[[2-(2,4-dichloro-5-methylphenyl)sulfanylacetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 159134110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).