N-[3-azanyl-2-cyclopropyl-4-(3-methylphenyl)-1-oxidanylidene-isoquinolin-7-yl]-4-methoxy-benzamide

Systemtic Name: N-[3-azanyl-2-cyclopropyl-4-(3-methylphenyl)-1-oxidanylidene-isoquinolin-7-yl]-4-methoxy-benzamide Openeye Name: N-[3-amino-2-cyclopropyl-4-(m-tolyl)-1-oxo-7-isoquinolyl]-4-methoxy-benzamide CAS Name: N-[3-amino-2-cyclopropyl-4-(3-methylphenyl)-1-oxo-7-isoquinolinyl]-4-methoxybenzamide IUPAC Name: N-[3-amino-2-cyclopropyl-4-(3-methylphenyl)-1-oxoisoquinolin-7-yl]-4-methoxybenzamide Traditional Name: N-[3-amino-2-cyclopropyl-1-keto-4-(m-tolyl)-7-isoquinolyl]-4-methoxy-benzamide Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C(N(C(=O)C3=C2C=CC(=C3)NC(=O)C4=CC=C(C=C4)OC)C5CC5)N

Isomeric SMILES

CC1=CC=CC(=C1)C2=C(N(C(=O)C3=C2C=CC(=C3)NC(=O)C4=CC=C(C=C4)OC)C5CC5)N

InChI

InChI=1S/C27H25N3O3/c1-16-4-3-5-18(14-16)24-22-13-8-19(29-26(31)17-6-11-21(33-2)12-7-17)15-23(22)27(32)30(25(24)28)20-9-10-20/h3-8,11-15,20H,9-10,28H2,1-2H3,(H,29,31)