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

Systemtic Name: N-[3-azanyl-2-cyclopropyl-4-(3-methylphenyl)-1-oxidanylidene-isoquinolin-7-yl]-2-methyl-benzamide Openeye Name: N-[3-amino-2-cyclopropyl-4-(m-tolyl)-1-oxo-7-isoquinolyl]-2-methyl-benzamide CAS Name: N-[3-amino-2-cyclopropyl-4-(3-methylphenyl)-1-oxo-7-isoquinolinyl]-2-methylbenzamide IUPAC Name: N-[3-amino-2-cyclopropyl-4-(3-methylphenyl)-1-oxoisoquinolin-7-yl]-2-methylbenzamide Traditional Name: N-[3-amino-2-cyclopropyl-1-keto-4-(m-tolyl)-7-isoquinolyl]-2-methyl-benzamide Formula: C27H25N3O2 MolecularWeight: 423.5063

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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=CC=C4C)C5CC5)N

Isomeric SMILES

CC1=CC=CC(=C1)C2=C(N(C(=O)C3=C2C=CC(=C3)NC(=O)C4=CC=CC=C4C)C5CC5)N

InChI

InChI=1S/C27H25N3O2/c1-16-6-5-8-18(14-16)24-22-13-10-19(29-26(31)21-9-4-3-7-17(21)2)15-23(22)27(32)30(25(24)28)20-11-12-20/h3-10,13-15,20H,11-12,28H2,1-2H3,(H,29,31)