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

Systemtic Name: 2-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-1-yl]propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-(4-benzylpiperazin-1-yl)-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-oxo-3-[4-(phenylmethyl)-1-piperazinyl]propyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-(4-benzylpiperazino)-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CCN3C(=CC=N3)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CCN3C(=CC=N3)C(=O)O

InChI

InChI=1S/C18H22N4O3/c23-17(7-9-22-16(18(24)25)6-8-19-22)21-12-10-20(11-13-21)14-15-4-2-1-3-5-15/h1-6,8H,7,9-14H2,(H,24,25)