4-butoxy-N-[3-chloranyl-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]benzamide

Systemtic Name: 4-butoxy-N-[3-chloranyl-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]benzamide Openeye Name: 4-butoxy-N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide CAS Name: 4-butoxy-N-[3-chloro-4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]benzamide IUPAC Name: 4-butoxy-N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide Traditional Name: 4-butoxy-N-[3-chloro-4-(4-o-toluoylpiperazino)phenyl]benzamide Formula: C29H32ClN3O3 MolecularWeight: 506.03568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4C)Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4C)Cl

InChI

InChI=1S/C29H32ClN3O3/c1-3-4-19-36-24-12-9-22(10-13-24)28(34)31-23-11-14-27(26(30)20-23)32-15-17-33(18-16-32)29(35)25-8-6-5-7-21(25)2/h5-14,20H,3-4,15-19H2,1-2H3,(H,31,34)