4-(1,3-diethyl-2-oxidanylidene-benzimidazol-5-yl)-2-ethanoyl-3-(3-methylphenyl)-2-pyrazol-1-yl-piperazine-1-carboxylic acid

Systemtic Name: 4-(1,3-diethyl-2-oxidanylidene-benzimidazol-5-yl)-2-ethanoyl-3-(3-methylphenyl)-2-pyrazol-1-yl-piperazine-1-carboxylic acid Openeye Name: 2-acetyl-4-(1,3-diethyl-2-oxo-benzimidazol-5-yl)-3-(m-tolyl)-2-pyrazol-1-yl-piperazine-1-carboxylic acid CAS Name: 2-acetyl-4-(1,3-diethyl-2-oxo-5-benzimidazolyl)-3-(3-methylphenyl)-2-(1-pyrazolyl)-1-piperazinecarboxylic acid IUPAC Name: 2-acetyl-4-(1,3-diethyl-2-oxobenzimidazol-5-yl)-3-(3-methylphenyl)-2-pyrazol-1-ylpiperazine-1-carboxylic acid Traditional Name: 2-acetyl-4-(1,3-diethyl-2-keto-benzimidazol-5-yl)-3-(m-tolyl)-2-pyrazol-1-yl-piperazine-1-carboxylic acid Formula: C28H32N6O4 MolecularWeight: 516.59148

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)N3CCN(C(C3C4=CC(=CC=C4)C)(C(=O)C)N5C=CC=N5)C(=O)O)N(C1=O)CC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)N3CCN(C(C3C4=CC(=CC=C4)C)(C(=O)C)N5C=CC=N5)C(=O)O)N(C1=O)CC

InChI

InChI=1S/C28H32N6O4/c1-5-30-23-12-11-22(18-24(23)31(6-2)26(30)36)32-15-16-33(27(37)38)28(20(4)35,34-14-8-13-29-34)25(32)21-10-7-9-19(3)17-21/h7-14,17-18,25H,5-6,15-16H2,1-4H3,(H,37,38)