2-[3-oxidanylidene-3-[[1-(phenylmethyl)pyrazol-4-yl]amino]propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-oxidanylidene-3-[[1-(phenylmethyl)pyrazol-4-yl]amino]propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[(1-benzylpyrazol-4-yl)amino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-oxo-3-[[1-(phenylmethyl)-4-pyrazolyl]amino]propyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[(1-benzylpyrazol-4-yl)amino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-[(1-benzylpyrazol-4-yl)amino]-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C17H17N5O3 MolecularWeight: 339.34858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=N2)NC(=O)CCN3C(=CC=N3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)NC(=O)CCN3C(=CC=N3)C(=O)O

InChI

InChI=1S/C17H17N5O3/c23-16(7-9-22-15(17(24)25)6-8-18-22)20-14-10-19-21(12-14)11-13-4-2-1-3-5-13/h1-6,8,10,12H,7,9,11H2,(H,20,23)(H,24,25)