N-[3-chloranyl-2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]-3,4,5-triethoxy-benzamide

Systemtic Name: N-[3-chloranyl-2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]-3,4,5-triethoxy-benzamide Openeye Name: N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-3,4,5-triethoxy-benzamide CAS Name: N-[3-chloro-2-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-3,4,5-triethoxybenzamide IUPAC Name: N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-3,4,5-triethoxybenzamide Traditional Name: N-[3-chloro-2-(4-p-toluoylpiperazino)phenyl]-3,4,5-triethoxy-benzamide Formula: C31H36ClN3O5 MolecularWeight: 566.08764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=C(C(=CC=C2)Cl)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=C(C(=CC=C2)Cl)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C31H36ClN3O5/c1-5-38-26-19-23(20-27(39-6-2)29(26)40-7-3)30(36)33-25-10-8-9-24(32)28(25)34-15-17-35(18-16-34)31(37)22-13-11-21(4)12-14-22/h8-14,19-20H,5-7,15-18H2,1-4H3,(H,33,36)