N-[4-[4-[2-(3-methylphenyl)ethanoyl]piperazin-1-yl]phenyl]-4-pentyl-benzamide

Systemtic Name: N-[4-[4-[2-(3-methylphenyl)ethanoyl]piperazin-1-yl]phenyl]-4-pentyl-benzamide Openeye Name: N-[4-[4-[2-(m-tolyl)acetyl]piperazin-1-yl]phenyl]-4-pentyl-benzamide CAS Name: N-[4-[4-[2-(3-methylphenyl)-1-oxoethyl]-1-piperazinyl]phenyl]-4-pentylbenzamide IUPAC Name: N-[4-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]phenyl]-4-pentylbenzamide Traditional Name: 4-amyl-N-[4-[4-[2-(m-tolyl)acetyl]piperazino]phenyl]benzamide Formula: C31H37N3O2 MolecularWeight: 483.64438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)CC4=CC=CC(=C4)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)CC4=CC=CC(=C4)C

InChI

InChI=1S/C31H37N3O2/c1-3-4-5-8-25-10-12-27(13-11-25)31(36)32-28-14-16-29(17-15-28)33-18-20-34(21-19-33)30(35)23-26-9-6-7-24(2)22-26/h6-7,9-17,22H,3-5,8,18-21,23H2,1-2H3,(H,32,36)