N-[3-azanyl-2-(2-methoxyethyl)-4-(3-methylphenyl)-1-oxidanylidene-isoquinolin-7-yl]-2-phenyl-ethanamide

Systemtic Name: N-[3-azanyl-2-(2-methoxyethyl)-4-(3-methylphenyl)-1-oxidanylidene-isoquinolin-7-yl]-2-phenyl-ethanamide Openeye Name: N-[3-amino-2-(2-methoxyethyl)-4-(m-tolyl)-1-oxo-7-isoquinolyl]-2-phenyl-acetamide CAS Name: N-[3-amino-2-(2-methoxyethyl)-4-(3-methylphenyl)-1-oxo-7-isoquinolinyl]-2-phenylacetamide IUPAC Name: N-[3-amino-2-(2-methoxyethyl)-4-(3-methylphenyl)-1-oxoisoquinolin-7-yl]-2-phenylacetamide Traditional Name: N-[3-amino-1-keto-2-(2-methoxyethyl)-4-(m-tolyl)-7-isoquinolyl]-2-phenyl-acetamide Formula: C27H27N3O3 MolecularWeight: 441.52158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C(N(C(=O)C3=C2C=CC(=C3)NC(=O)CC4=CC=CC=C4)CCOC)N

Isomeric SMILES

CC1=CC=CC(=C1)C2=C(N(C(=O)C3=C2C=CC(=C3)NC(=O)CC4=CC=CC=C4)CCOC)N

InChI

InChI=1S/C27H27N3O3/c1-18-7-6-10-20(15-18)25-22-12-11-21(29-24(31)16-19-8-4-3-5-9-19)17-23(22)27(32)30(26(25)28)13-14-33-2/h3-12,15,17H,13-14,16,28H2,1-2H3,(H,29,31)