[1-oxidanylidene-1-(1-phenylbutylamino)propan-2-yl] 1H-pyrazole-5-carboxylate

Systemtic Name: [1-oxidanylidene-1-(1-phenylbutylamino)propan-2-yl] 1H-pyrazole-5-carboxylate Openeye Name: [1-methyl-2-oxo-2-(1-phenylbutylamino)ethyl] 1H-pyrazole-5-carboxylate CAS Name: 1H-pyrazole-5-carboxylic acid [1-oxo-1-(1-phenylbutylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(1-phenylbutylamino)propan-2-yl] 1H-pyrazole-5-carboxylate Traditional Name: 1H-pyrazole-5-carboxylic acid [2-keto-1-methyl-2-(1-phenylbutylamino)ethyl] ester Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)C(C)OC(=O)C2=CC=NN2

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC(=O)C(C)OC(=O)C2=CC=NN2

InChI

InChI=1S/C17H21N3O3/c1-3-7-14(13-8-5-4-6-9-13)19-16(21)12(2)23-17(22)15-10-11-18-20-15/h4-6,8-12,14H,3,7H2,1-2H3,(H,18,20)(H,19,21)