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

Systemtic Name: N-[3-chloranyl-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]-3,4,5-triethoxy-benzamide Openeye Name: N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-3,4,5-triethoxy-benzamide CAS Name: N-[3-chloro-4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-3,4,5-triethoxybenzamide IUPAC Name: N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-3,4,5-triethoxybenzamide Traditional Name: N-[3-chloro-4-(4-o-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=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4C)Cl

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4C)Cl

InChI

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