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

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

Click to see the large picture

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)OC)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)OC)C5CC5)N

InChI

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