[(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate Openeye Name: [(1R)-2-(benzylamino)-1-methyl-2-oxo-ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate CAS Name: 5-cyclopropyl-2-phenyl-3-pyrazolecarboxylic acid [(2R)-1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester IUPAC Name: [(2R)-1-(benzylamino)-1-oxopropan-2-yl] 5-cyclopropyl-2-phenylpyrazole-3-carboxylate Traditional Name: 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylic acid [(1R)-2-(benzylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=CC(=NN2C3=CC=CC=C3)C4CC4

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CC=C1)OC(=O)C2=CC(=NN2C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C23H23N3O3/c1-16(22(27)24-15-17-8-4-2-5-9-17)29-23(28)21-14-20(18-12-13-18)25-26(21)19-10-6-3-7-11-19/h2-11,14,16,18H,12-13,15H2,1H3,(H,24,27)/t16-/m1/s1