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

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

Isomeric SMILES

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

InChI

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