[2-oxidanylidene-2-[[(1S)-1-phenylbutyl]amino]ethyl] 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[(1S)-1-phenylbutyl]amino]ethyl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-keto-2-[[(1S)-1-phenylbutyl]amino]ethyl] ester Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)COC(=O)C2=CC(=NN2)C3=CC=CC=C3

Isomeric SMILES

CCC[C@@H](C1=CC=CC=C1)NC(=O)COC(=O)C2=CC(=NN2)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O3/c1-2-9-18(16-10-5-3-6-11-16)23-21(26)15-28-22(27)20-14-19(24-25-20)17-12-7-4-8-13-17/h3-8,10-14,18H,2,9,15H2,1H3,(H,23,26)(H,24,25)/t18-/m0/s1