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

Systemtic Name: 3-bromanyl-N-[3-chloranyl-2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]-4-ethoxy-benzamide Openeye Name: 3-bromo-N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-4-ethoxy-benzamide CAS Name: 3-bromo-N-[3-chloro-2-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-4-ethoxybenzamide IUPAC Name: 3-bromo-N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-4-ethoxybenzamide Traditional Name: 3-bromo-N-[3-chloro-2-(4-p-toluoylpiperazino)phenyl]-4-ethoxy-benzamide Formula: C27H27BrClN3O3 MolecularWeight: 556.87858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27BrClN3O3/c1-3-35-24-12-11-20(17-21(24)28)26(33)30-23-6-4-5-22(29)25(23)31-13-15-32(16-14-31)27(34)19-9-7-18(2)8-10-19/h4-12,17H,3,13-16H2,1-2H3,(H,30,33)