ethyl 3-[(4-bromophenyl)carbonylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate

Systemtic Name: ethyl 3-[(4-bromophenyl)carbonylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate Openeye Name: ethyl 4-(4-benzylpiperazin-1-yl)-3-[(4-bromobenzoyl)amino]benzoate CAS Name: 3-[[(4-bromophenyl)-oxomethyl]amino]-4-[4-(phenylmethyl)-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzylpiperazin-1-yl)-3-[(4-bromobenzoyl)amino]benzoate Traditional Name: 4-(4-benzylpiperazino)-3-[(4-bromobenzoyl)amino]benzoic acid ethyl ester Formula: C27H28BrN3O3 MolecularWeight: 522.43352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C27H28BrN3O3/c1-2-34-27(33)22-10-13-25(24(18-22)29-26(32)21-8-11-23(28)12-9-21)31-16-14-30(15-17-31)19-20-6-4-3-5-7-20/h3-13,18H,2,14-17,19H2,1H3,(H,29,32)