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

Systemtic Name: N-[3-chloranyl-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]-3-ethoxy-benzamide Openeye Name: N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-3-ethoxy-benzamide CAS Name: N-[3-chloro-4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-3-ethoxybenzamide IUPAC Name: N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-3-ethoxybenzamide Traditional Name: N-[3-chloro-4-(4-o-toluoylpiperazino)phenyl]-3-ethoxy-benzamide Formula: C27H28ClN3O3 MolecularWeight: 477.98252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4C)Cl

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4C)Cl

InChI

InChI=1S/C27H28ClN3O3/c1-3-34-22-9-6-8-20(17-22)26(32)29-21-11-12-25(24(28)18-21)30-13-15-31(16-14-30)27(33)23-10-5-4-7-19(23)2/h4-12,17-18H,3,13-16H2,1-2H3,(H,29,32)