N-[(3-acetamidophenyl)methyl]-2-[(1-azanylisoquinolin-6-yl)amino]-2-(2,5-dimethoxyphenyl)ethanamide

Systemtic Name: N-[(3-acetamidophenyl)methyl]-2-[(1-azanylisoquinolin-6-yl)amino]-2-(2,5-dimethoxyphenyl)ethanamide Openeye Name: N-[(3-acetamidophenyl)methyl]-2-[(1-amino-6-isoquinolyl)amino]-2-(2,5-dimethoxyphenyl)acetamide CAS Name: N-[(3-acetamidophenyl)methyl]-2-[(1-amino-6-isoquinolinyl)amino]-2-(2,5-dimethoxyphenyl)acetamide IUPAC Name: N-[(3-acetamidophenyl)methyl]-2-[(1-aminoisoquinolin-6-yl)amino]-2-(2,5-dimethoxyphenyl)acetamide Traditional Name: N-(3-acetamidobenzyl)-2-[(1-amino-6-isoquinolyl)amino]-2-(2,5-dimethoxyphenyl)acetamide Formula: C28H29N5O4 MolecularWeight: 499.56096

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)CNC(=O)C(C2=C(C=CC(=C2)OC)OC)NC3=CC4=C(C=C3)C(=NC=C4)N

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)CNC(=O)C(C2=C(C=CC(=C2)OC)OC)NC3=CC4=C(C=C3)C(=NC=C4)N

InChI

InChI=1S/C28H29N5O4/c1-17(34)32-20-6-4-5-18(13-20)16-31-28(35)26(24-15-22(36-2)8-10-25(24)37-3)33-21-7-9-23-19(14-21)11-12-30-27(23)29/h4-15,26,33H,16H2,1-3H3,(H2,29,30)(H,31,35)(H,32,34)