methyl 3-[(5-bromanyl-2-chloranyl-phenyl)carbonylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate

Systemtic Name: methyl 3-[(5-bromanyl-2-chloranyl-phenyl)carbonylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate Openeye Name: methyl 4-(4-benzylpiperazin-1-yl)-3-[(5-bromo-2-chloro-benzoyl)amino]benzoate CAS Name: 3-[[(5-bromo-2-chlorophenyl)-oxomethyl]amino]-4-[4-(phenylmethyl)-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzylpiperazin-1-yl)-3-[(5-bromo-2-chlorobenzoyl)amino]benzoate Traditional Name: 4-(4-benzylpiperazino)-3-[(5-bromo-2-chloro-benzoyl)amino]benzoic acid methyl ester Formula: C26H25BrClN3O3 MolecularWeight: 542.852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25BrClN3O3/c1-34-26(33)19-7-10-24(23(15-19)29-25(32)21-16-20(27)8-9-22(21)28)31-13-11-30(12-14-31)17-18-5-3-2-4-6-18/h2-10,15-16H,11-14,17H2,1H3,(H,29,32)