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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=CC(=C3)NC(=O)C4=CC=CC=C4OC)C5CC5)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=CC(=C3)NC(=O)C4=CC=CC=C4OC)C5CC5)N

InChI

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