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

Systemtic Name: 2-(2-ethanoyl-1H-isoquinolin-1-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]ethanamide Openeye Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]acetamide CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[[2-[(4-phenyl-1-piperazinyl)methyl]phenyl]methyl]acetamide IUPAC Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]acetamide Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[2-[(4-phenylpiperazino)methyl]benzyl]acetamide Formula: C31H34N4O2 MolecularWeight: 494.62726

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NCC3=CC=CC=C3CN4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NCC3=CC=CC=C3CN4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C31H34N4O2/c1-24(36)35-16-15-25-9-7-8-14-29(25)30(35)21-31(37)32-22-26-10-5-6-11-27(26)23-33-17-19-34(20-18-33)28-12-3-2-4-13-28/h2-16,30H,17-23H2,1H3,(H,32,37)