1-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]pyrazole-4-carboxylic acid Openeye Name: 1-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]pyrazole-4-carboxylic acid CAS Name: 1-[4-[(4-phenyl-1-piperazinyl)methyl]phenyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]pyrazole-4-carboxylic acid Traditional Name: 1-[4-[(4-phenylpiperazino)methyl]phenyl]pyrazole-4-carboxylic acid Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)N3C=C(C=N3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)N3C=C(C=N3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O2/c26-21(27)18-14-22-25(16-18)20-8-6-17(7-9-20)15-23-10-12-24(13-11-23)19-4-2-1-3-5-19/h1-9,14,16H,10-13,15H2,(H,26,27)