[2-oxidanylidene-2-[[(1R)-1-phenylbutyl]amino]ethyl] 3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[(1R)-1-phenylbutyl]amino]ethyl] 3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 1-benzyl-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 1-benzyl-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-benzyl-3,5-dimethyl-pyrazole-4-carboxylic acid [2-keto-2-[[(1R)-1-phenylbutyl]amino]ethyl] ester Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)COC(=O)C2=C(N(N=C2C)CC3=CC=CC=C3)C

Isomeric SMILES

CCC[C@H](C1=CC=CC=C1)NC(=O)COC(=O)C2=C(N(N=C2C)CC3=CC=CC=C3)C

InChI

InChI=1S/C25H29N3O3/c1-4-11-22(21-14-9-6-10-15-21)26-23(29)17-31-25(30)24-18(2)27-28(19(24)3)16-20-12-7-5-8-13-20/h5-10,12-15,22H,4,11,16-17H2,1-3H3,(H,26,29)/t22-/m1/s1