N-[4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]-4-pentyl-benzamide

Systemtic Name: N-[4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]-4-pentyl-benzamide Openeye Name: N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-4-pentyl-benzamide CAS Name: N-[4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-4-pentylbenzamide IUPAC Name: N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-4-pentylbenzamide Traditional Name: 4-amyl-N-[4-(4-o-toluoylpiperazino)phenyl]benzamide Formula: C30H35N3O2 MolecularWeight: 469.6178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4C

InChI

InChI=1S/C30H35N3O2/c1-3-4-5-9-24-11-13-25(14-12-24)29(34)31-26-15-17-27(18-16-26)32-19-21-33(22-20-32)30(35)28-10-7-6-8-23(28)2/h6-8,10-18H,3-5,9,19-22H2,1-2H3,(H,31,34)