methyl 1-[2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]amino]-2-oxo-ethyl]piperidine-4-carboxylate CAS Name: 1-[2-[[3,5-dimethyl-1-(4-methylphenyl)-4-pyrazolyl]amino]-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxoethyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]amino]-2-keto-ethyl]isonipecotic acid methyl ester Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)CN3CCC(CC3)C(=O)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)CN3CCC(CC3)C(=O)OC)C

InChI

InChI=1S/C21H28N4O3/c1-14-5-7-18(8-6-14)25-16(3)20(15(2)23-25)22-19(26)13-24-11-9-17(10-12-24)21(27)28-4/h5-8,17H,9-13H2,1-4H3,(H,22,26)