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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4C)Cl

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4C)Cl

InChI

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