[2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] (1S)-cyclohex-3-ene-1-carboxylate

Systemtic Name: [2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] (1S)-cyclohex-3-ene-1-carboxylate Openeye Name: [2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl] (1S)-cyclohex-3-ene-1-carboxylate CAS Name: (1S)-1-cyclohex-3-enecarboxylic acid [2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] (1S)-cyclohex-3-ene-1-carboxylate Traditional Name: (1S)-cyclohex-3-ene-1-carboxylic acid [2-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]ethyl] ester Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC(=O)C3CCC=CC3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)COC(=O)[C@H]3CCC=CC3

InChI

InChI=1S/C20H23N3O4/c1-14-18(19(25)23(22(14)2)16-11-7-4-8-12-16)21-17(24)13-27-20(26)15-9-5-3-6-10-15/h3-5,7-8,11-12,15H,6,9-10,13H2,1-2H3,(H,21,24)/t15-/m1/s1