2-(2-ethanoyl-1H-isoquinolin-1-yl)-N-[4-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]ethanamide

Systemtic Name: 2-(2-ethanoyl-1H-isoquinolin-1-yl)-N-[4-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]ethanamide Openeye Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-[[4-(m-tolyl)piperazin-1-yl]methyl]phenyl]acetamide CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-[[4-(3-methylphenyl)-1-piperazinyl]methyl]phenyl]acetamide IUPAC Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]acetamide Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-[[4-(m-tolyl)piperazino]methyl]phenyl]acetamide Formula: C31H34N4O2 MolecularWeight: 494.62726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CC3=CC=C(C=C3)NC(=O)CC4C5=CC=CC=C5C=CN4C(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CC3=CC=C(C=C3)NC(=O)CC4C5=CC=CC=C5C=CN4C(=O)C

InChI

InChI=1S/C31H34N4O2/c1-23-6-5-8-28(20-23)34-18-16-33(17-19-34)22-25-10-12-27(13-11-25)32-31(37)21-30-29-9-4-3-7-26(29)14-15-35(30)24(2)36/h3-15,20,30H,16-19,21-22H2,1-2H3,(H,32,37)