2-[3-[(1,3-diphenylpyrazol-4-yl)methylamino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-[(1,3-diphenylpyrazol-4-yl)methylamino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[(1,3-diphenylpyrazol-4-yl)methylamino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[(1,3-diphenyl-4-pyrazolyl)methylamino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[(1,3-diphenylpyrazol-4-yl)methylamino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-[(1,3-diphenylpyrazol-4-yl)methylamino]-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C23H21N5O3 MolecularWeight: 415.44454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2CNC(=O)CCN3C(=CC=N3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2CNC(=O)CCN3C(=CC=N3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C23H21N5O3/c29-21(12-14-27-20(23(30)31)11-13-25-27)24-15-18-16-28(19-9-5-2-6-10-19)26-22(18)17-7-3-1-4-8-17/h1-11,13,16H,12,14-15H2,(H,24,29)(H,30,31)