methyl 2-[[1-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)carbonylpiperidin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[1-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)carbonylpiperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[1-(1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)piperidine-4-carbonyl]amino]benzoate CAS Name: 2-[[oxo-[1-[oxo-[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methyl]-4-piperidinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carbonyl]amino]benzoate Traditional Name: 2-[[1-(1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)isonipecotoyl]amino]benzoic acid methyl ester Formula: C28H27N5O4 MolecularWeight: 497.54508

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C2CCN(CC2)C(=O)C3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C2CCN(CC2)C(=O)C3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

InChI

InChI=1S/C28H27N5O4/c1-37-28(36)22-11-5-6-12-24(22)30-25(34)20-13-17-32(18-14-20)27(35)23-19-29-33(21-9-3-2-4-10-21)26(23)31-15-7-8-16-31/h2-12,15-16,19-20H,13-14,17-18H2,1H3,(H,30,34)