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

Systemtic Name: 2-[(1-azanylisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)-N-[(3-formamidophenyl)methyl]ethanamide Openeye Name: 2-[(1-amino-6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)-N-[(3-formamidophenyl)methyl]acetamide CAS Name: 2-[(1-amino-6-isoquinolinyl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-N-[(3-formamidophenyl)methyl]acetamide IUPAC Name: 2-[(1-aminoisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-N-[(3-formamidophenyl)methyl]acetamide Traditional Name: 2-[(1-amino-6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)-N-(3-formamidobenzyl)acetamide Formula: C30H33N5O4 MolecularWeight: 527.61412

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H33N5O4/c1-4-38-27-16-22(8-11-26(27)39-19(2)3)28(30(37)33-17-20-6-5-7-23(14-20)34-18-36)35-24-9-10-25-21(15-24)12-13-32-29(25)31/h5-16,18-19,28,35H,4,17H2,1-3H3,(H2,31,32)(H,33,37)(H,34,36)