[(2S)-1-[methyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: [(2S)-1-[methyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [(1S)-2-[benzyl(methyl)amino]-1-methyl-2-oxo-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [(2S)-1-[methyl-(phenylmethyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [(1S)-2-[benzyl(methyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1=CC=CC=C1)OC(=O)C2=CC(=NN2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)N(C)CC1=CC=CC=C1)OC(=O)C2=CC(=NN2)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3/c1-15(20(25)24(2)14-16-9-5-3-6-10-16)27-21(26)19-13-18(22-23-19)17-11-7-4-8-12-17/h3-13,15H,14H2,1-2H3,(H,22,23)/t15-/m0/s1