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

Systemtic Name: N-cyclopropyl-4-methyl-3-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1-oxidanylidene-isoquinolin-6-yl]benzamide Openeye Name: N-cyclopropyl-4-methyl-3-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1-oxo-6-isoquinolyl]benzamide CAS Name: N-cyclopropyl-4-methyl-3-[2-[[4-(4-methyl-1-piperazinyl)phenyl]methyl]-1-oxo-6-isoquinolinyl]benzamide IUPAC Name: N-cyclopropyl-4-methyl-3-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1-oxoisoquinolin-6-yl]benzamide Traditional Name: N-cyclopropyl-3-[1-keto-2-[4-(4-methylpiperazino)benzyl]-6-isoquinolyl]-4-methyl-benzamide Formula: C32H34N4O2 MolecularWeight: 506.63796

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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)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)N6CCN(CC6)C

InChI

InChI=1S/C32H34N4O2/c1-22-3-6-26(31(37)33-27-8-9-27)20-30(22)24-7-12-29-25(19-24)13-14-36(32(29)38)21-23-4-10-28(11-5-23)35-17-15-34(2)16-18-35/h3-7,10-14,19-20,27H,8-9,15-18,21H2,1-2H3,(H,33,37)