2-[3-oxidanylidene-3-(1-phenylpropylamino)propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-oxidanylidene-3-(1-phenylpropylamino)propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-oxo-3-(1-phenylpropylamino)propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-oxo-3-(1-phenylpropylamino)propyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-oxo-3-(1-phenylpropylamino)propyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-keto-3-(1-phenylpropylamino)propyl]pyrazole-3-carboxylic acid Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)NC(=O)CCN2C(=CC=N2)C(=O)O

Isomeric SMILES

CCC(C1=CC=CC=C1)NC(=O)CCN2C(=CC=N2)C(=O)O

InChI

InChI=1S/C16H19N3O3/c1-2-13(12-6-4-3-5-7-12)18-15(20)9-11-19-14(16(21)22)8-10-17-19/h3-8,10,13H,2,9,11H2,1H3,(H,18,20)(H,21,22)