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

Systemtic Name: N-[3-chloranyl-2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]-3-propoxy-benzamide Openeye Name: N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-3-propoxy-benzamide CAS Name: N-[3-chloro-2-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-3-propoxybenzamide IUPAC Name: N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-3-propoxybenzamide Traditional Name: N-[3-chloro-2-(4-p-toluoylpiperazino)phenyl]-3-propoxy-benzamide Formula: C28H30ClN3O3 MolecularWeight: 492.0091

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC2=C(C(=CC=C2)Cl)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC2=C(C(=CC=C2)Cl)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C28H30ClN3O3/c1-3-18-35-23-7-4-6-22(19-23)27(33)30-25-9-5-8-24(29)26(25)31-14-16-32(17-15-31)28(34)21-12-10-20(2)11-13-21/h4-13,19H,3,14-18H2,1-2H3,(H,30,33)