2-[(1-azanyl-7-methyl-isoquinolin-6-yl)amino]-N-[(2-cyclobutylsulfonylphenyl)methyl]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)-N-methyl-ethanamide

Systemtic Name: 2-[(1-azanyl-7-methyl-isoquinolin-6-yl)amino]-N-[(2-cyclobutylsulfonylphenyl)methyl]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)-N-methyl-ethanamide Openeye Name: 2-[(1-amino-7-methyl-6-isoquinolyl)amino]-N-[(2-cyclobutylsulfonylphenyl)methyl]-2-(3-ethoxy-4-isopropoxy-phenyl)-N-methyl-acetamide CAS Name: 2-[(1-amino-7-methyl-6-isoquinolinyl)amino]-N-[(2-cyclobutylsulfonylphenyl)methyl]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-N-methylacetamide IUPAC Name: 2-[(1-amino-7-methylisoquinolin-6-yl)amino]-N-[(2-cyclobutylsulfonylphenyl)methyl]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-N-methylacetamide Traditional Name: 2-[(1-amino-7-methyl-6-isoquinolyl)amino]-N-(2-cyclobutylsulfonylbenzyl)-2-(3-ethoxy-4-isopropoxy-phenyl)-N-methyl-acetamide Formula: C35H42N4O5S MolecularWeight: 630.79678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C(=O)N(C)CC2=CC=CC=C2S(=O)(=O)C3CCC3)NC4=C(C=C5C(=C4)C=CN=C5N)C)OC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C(=O)N(C)CC2=CC=CC=C2S(=O)(=O)C3CCC3)NC4=C(C=C5C(=C4)C=CN=C5N)C)OC(C)C

InChI

InChI=1S/C35H42N4O5S/c1-6-43-31-20-25(14-15-30(31)44-22(2)3)33(38-29-19-24-16-17-37-34(36)28(24)18-23(29)4)35(40)39(5)21-26-10-7-8-13-32(26)45(41,42)27-11-9-12-27/h7-8,10,13-20,22,27,33,38H,6,9,11-12,21H2,1-5H3,(H2,36,37)