N-(3,4-dimethylphenyl)-4-[[4-(phenylmethyl)piperazin-1-yl]methyl]benzamide

Systemtic Name: N-(3,4-dimethylphenyl)-4-[[4-(phenylmethyl)piperazin-1-yl]methyl]benzamide Openeye Name: 4-[(4-benzylpiperazin-1-yl)methyl]-N-(3,4-dimethylphenyl)benzamide CAS Name: N-(3,4-dimethylphenyl)-4-[[4-(phenylmethyl)-1-piperazinyl]methyl]benzamide IUPAC Name: 4-[(4-benzylpiperazin-1-yl)methyl]-N-(3,4-dimethylphenyl)benzamide Traditional Name: 4-[(4-benzylpiperazino)methyl]-N-(3,4-dimethylphenyl)benzamide Formula: C27H31N3O MolecularWeight: 413.55454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C27H31N3O/c1-21-8-13-26(18-22(21)2)28-27(31)25-11-9-24(10-12-25)20-30-16-14-29(15-17-30)19-23-6-4-3-5-7-23/h3-13,18H,14-17,19-20H2,1-2H3,(H,28,31)