(2S)-5-oxidanylidene-5-[(1-phenylpyrazol-3-yl)amino]-2-propyl-pentanoate

Systemtic Name: (2S)-5-oxidanylidene-5-[(1-phenylpyrazol-3-yl)amino]-2-propyl-pentanoate Openeye Name: (2S)-5-oxo-5-[(1-phenylpyrazol-3-yl)amino]-2-propyl-pentanoate CAS Name: (2S)-5-oxo-5-[(1-phenyl-3-pyrazolyl)amino]-2-propylpentanoate IUPAC Name: (2S)-5-oxo-5-[(1-phenylpyrazol-3-yl)amino]-2-propylpentanoate Traditional Name: (2S)-5-keto-5-[(1-phenylpyrazol-3-yl)amino]-2-propyl-valerate Formula: C17H20N3O3- MolecularWeight: 314.359

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC(=O)NC1=NN(C=C1)C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CCC[C@@H](CCC(=O)NC1=NN(C=C1)C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C17H21N3O3/c1-2-6-13(17(22)23)9-10-16(21)18-15-11-12-20(19-15)14-7-4-3-5-8-14/h3-5,7-8,11-13H,2,6,9-10H2,1H3,(H,22,23)(H,18,19,21)/p-1/t13-/m0/s1