ethyl 1-[4-[[2-(3-methylphenyl)-5-phenyl-pyrazol-3-yl]amino]-4-oxidanylidene-butanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-[[2-(3-methylphenyl)-5-phenyl-pyrazol-3-yl]amino]-4-oxidanylidene-butanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-[[2-(m-tolyl)-5-phenyl-pyrazol-3-yl]amino]-4-oxo-butanoyl]piperidine-4-carboxylate CAS Name: 1-[4-[[2-(3-methylphenyl)-5-phenyl-3-pyrazolyl]amino]-1,4-dioxobutyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[[2-(3-methylphenyl)-5-phenylpyrazol-3-yl]amino]-4-oxobutanoyl]piperidine-4-carboxylate Traditional Name: 1-[4-keto-4-[[2-(m-tolyl)-5-phenyl-pyrazol-3-yl]amino]butanoyl]isonipecotic acid ethyl ester Formula: C28H32N4O4 MolecularWeight: 488.57808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CCC(=O)NC2=CC(=NN2C3=CC=CC(=C3)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CCC(=O)NC2=CC(=NN2C3=CC=CC(=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C28H32N4O4/c1-3-36-28(35)22-14-16-31(17-15-22)27(34)13-12-26(33)29-25-19-24(21-9-5-4-6-10-21)30-32(25)23-11-7-8-20(2)18-23/h4-11,18-19,22H,3,12-17H2,1-2H3,(H,29,33)