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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC(=O)NC2=CC(=NN2C3=CC=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)CC(=O)NC2=CC(=NN2C3=CC=C(C=C3)C)C

InChI

InChI=1S/C21H28N4O3/c1-4-28-21(27)17-6-5-11-24(13-17)14-20(26)22-19-12-16(3)23-25(19)18-9-7-15(2)8-10-18/h7-10,12,17H,4-6,11,13-14H2,1-3H3,(H,22,26)/t17-/m0/s1