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

Systemtic Name: N-[3-azanyl-2-cyclopropyl-4-(3-methylphenyl)-1-oxidanylidene-isoquinolin-7-yl]-4-methyl-benzamide Openeye Name: N-[3-amino-2-cyclopropyl-4-(m-tolyl)-1-oxo-7-isoquinolyl]-4-methyl-benzamide CAS Name: N-[3-amino-2-cyclopropyl-4-(3-methylphenyl)-1-oxo-7-isoquinolinyl]-4-methylbenzamide IUPAC Name: N-[3-amino-2-cyclopropyl-4-(3-methylphenyl)-1-oxoisoquinolin-7-yl]-4-methylbenzamide Traditional Name: N-[3-amino-2-cyclopropyl-1-keto-4-(m-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)C(=O)NC2=CC3=C(C=C2)C(=C(N(C3=O)C4CC4)N)C5=CC(=CC=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)C(=C(N(C3=O)C4CC4)N)C5=CC(=CC=C5)C

InChI

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