methyl 2-[[1-[1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazol-4-yl]carbonylpiperidin-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[1-[1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazol-4-yl]carbonylpiperidin-3-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[1-[1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]piperidine-3-carbonyl]amino]benzoate CAS Name: 2-[[[1-[[1-(4-fluorophenyl)-5-(1-pyrrolyl)-4-pyrazolyl]-oxomethyl]-3-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[1-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperidine-3-carbonyl]amino]benzoate Traditional Name: 2-[[1-[1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]nipecotoyl]amino]benzoic acid methyl ester Formula: C28H26FN5O4 MolecularWeight: 515.535543

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C2CCCN(C2)C(=O)C3=C(N(N=C3)C4=CC=C(C=C4)F)N5C=CC=C5

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C2CCCN(C2)C(=O)C3=C(N(N=C3)C4=CC=C(C=C4)F)N5C=CC=C5

InChI

InChI=1S/C28H26FN5O4/c1-38-28(37)22-8-2-3-9-24(22)31-25(35)19-7-6-16-33(18-19)27(36)23-17-30-34(21-12-10-20(29)11-13-21)26(23)32-14-4-5-15-32/h2-5,8-15,17,19H,6-7,16,18H2,1H3,(H,31,35)