N-cyclopropyl-4-methyl-3-[2-[[4-(4-methylpiperazin-1-yl)carbonylphenyl]methyl]-1-oxidanylidene-isoquinolin-6-yl]benzamide

Systemtic Name: N-cyclopropyl-4-methyl-3-[2-[[4-(4-methylpiperazin-1-yl)carbonylphenyl]methyl]-1-oxidanylidene-isoquinolin-6-yl]benzamide Openeye Name: N-cyclopropyl-4-methyl-3-[2-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-oxo-6-isoquinolyl]benzamide CAS Name: N-cyclopropyl-4-methyl-3-[2-[[4-[(4-methyl-1-piperazinyl)-oxomethyl]phenyl]methyl]-1-oxo-6-isoquinolinyl]benzamide IUPAC Name: N-cyclopropyl-4-methyl-3-[2-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-oxoisoquinolin-6-yl]benzamide Traditional Name: N-cyclopropyl-3-[1-keto-2-[4-(4-methylpiperazine-1-carbonyl)benzyl]-6-isoquinolyl]-4-methyl-benzamide Formula: C33H34N4O3 MolecularWeight: 534.64806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)C3=CC4=C(C=C3)C(=O)N(C=C4)CC5=CC=C(C=C5)C(=O)N6CCN(CC6)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)C3=CC4=C(C=C3)C(=O)N(C=C4)CC5=CC=C(C=C5)C(=O)N6CCN(CC6)C

InChI

InChI=1S/C33H34N4O3/c1-22-3-6-27(31(38)34-28-10-11-28)20-30(22)25-9-12-29-26(19-25)13-14-37(33(29)40)21-23-4-7-24(8-5-23)32(39)36-17-15-35(2)16-18-36/h3-9,12-14,19-20,28H,10-11,15-18,21H2,1-2H3,(H,34,38)