[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-(4-phenylpiperazin-1-yl)carbonylbenzoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-(4-phenylpiperazin-1-yl)carbonylbenzoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 2-(4-phenylpiperazine-1-carbonyl)benzoate CAS Name: 2-[oxo-(4-phenyl-1-piperazinyl)methyl]benzoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 2-(4-phenylpiperazine-1-carbonyl)benzoate Traditional Name: 2-(4-phenylpiperazine-1-carbonyl)benzoic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C26H23BrN2O4 MolecularWeight: 507.37582

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=CC=C3C(=O)OCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=CC=C3C(=O)OCC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C26H23BrN2O4/c27-20-12-10-19(11-13-20)24(30)18-33-26(32)23-9-5-4-8-22(23)25(31)29-16-14-28(15-17-29)21-6-2-1-3-7-21/h1-13H,14-18H2