N-[(3-acetamidophenyl)methyl]-2-[(1-azanylisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)ethanamide

Systemtic Name: N-[(3-acetamidophenyl)methyl]-2-[(1-azanylisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)ethanamide Openeye Name: N-[(3-acetamidophenyl)methyl]-2-[(1-amino-6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)acetamide CAS Name: N-[(3-acetamidophenyl)methyl]-2-[(1-amino-6-isoquinolinyl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetamide IUPAC Name: N-[(3-acetamidophenyl)methyl]-2-[(1-aminoisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetamide Traditional Name: N-(3-acetamidobenzyl)-2-[(1-amino-6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)acetamide Formula: C31H35N5O4 MolecularWeight: 541.6407

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C(=O)NCC2=CC(=CC=C2)NC(=O)C)NC3=CC4=C(C=C3)C(=NC=C4)N)OC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C(=O)NCC2=CC(=CC=C2)NC(=O)C)NC3=CC4=C(C=C3)C(=NC=C4)N)OC(C)C

InChI

InChI=1S/C31H35N5O4/c1-5-39-28-17-23(9-12-27(28)40-19(2)3)29(36-25-10-11-26-22(16-25)13-14-33-30(26)32)31(38)34-18-21-7-6-8-24(15-21)35-20(4)37/h6-17,19,29,36H,5,18H2,1-4H3,(H2,32,33)(H,34,38)(H,35,37)