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

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

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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=C(C=C4)C)C5CC5)N

Isomeric SMILES

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

InChI

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