[(2R)-1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [(2R)-1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [(1R)-2-(cyclopentylamino)-1-methyl-2-oxo-ethyl] 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylate CAS Name: 3-(4-methylphenyl)-1-phenyl-4-pyrazolecarboxylic acid [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylic acid [(1R)-2-(cyclopentylamino)-2-keto-1-methyl-ethyl] ester Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)OC(C)C(=O)NC3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)O[C@H](C)C(=O)NC3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3/c1-17-12-14-19(15-13-17)23-22(16-28(27-23)21-10-4-3-5-11-21)25(30)31-18(2)24(29)26-20-8-6-7-9-20/h3-5,10-16,18,20H,6-9H2,1-2H3,(H,26,29)/t18-/m1/s1