N-[(3-acetamidophenyl)methyl]-2-[(1-azanylisoquinolin-6-yl)amino]-2-(4-fluoranyl-3-methoxy-phenyl)ethanamide

Systemtic Name: N-[(3-acetamidophenyl)methyl]-2-[(1-azanylisoquinolin-6-yl)amino]-2-(4-fluoranyl-3-methoxy-phenyl)ethanamide Openeye Name: N-[(3-acetamidophenyl)methyl]-2-[(1-amino-6-isoquinolyl)amino]-2-(4-fluoro-3-methoxy-phenyl)acetamide CAS Name: N-[(3-acetamidophenyl)methyl]-2-[(1-amino-6-isoquinolinyl)amino]-2-(4-fluoro-3-methoxyphenyl)acetamide IUPAC Name: N-[(3-acetamidophenyl)methyl]-2-[(1-aminoisoquinolin-6-yl)amino]-2-(4-fluoro-3-methoxyphenyl)acetamide Traditional Name: N-(3-acetamidobenzyl)-2-[(1-amino-6-isoquinolyl)amino]-2-(4-fluoro-3-methoxy-phenyl)acetamide Formula: C27H26FN5O3 MolecularWeight: 487.525443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26FN5O3/c1-16(34)32-20-5-3-4-17(12-20)15-31-27(35)25(19-6-9-23(28)24(14-19)36-2)33-21-7-8-22-18(13-21)10-11-30-26(22)29/h3-14,25,33H,15H2,1-2H3,(H2,29,30)(H,31,35)(H,32,34)