(1R,2R)-2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1R,2R)-2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2R)-2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamoyl]cyclohexanecarboxylate CAS Name: (1R,2R)-2-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2R)-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2R)-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)carbamoyl]cyclohexanecarboxylate Formula: C19H22N3O4- MolecularWeight: 356.39568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3CCCCC3C(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-]

InChI

InChI=1S/C19H23N3O4/c1-12-16(18(24)22(21(12)2)13-8-4-3-5-9-13)20-17(23)14-10-6-7-11-15(14)19(25)26/h3-5,8-9,14-15H,6-7,10-11H2,1-2H3,(H,20,23)(H,25,26)/p-1/t14-,15-/m1/s1