3-[4-[4-(diphenylmethyl)piperazin-1-yl]butyl]pyrazole-1-carboxylic acid

Systemtic Name: 3-[4-[4-(diphenylmethyl)piperazin-1-yl]butyl]pyrazole-1-carboxylic acid Openeye Name: 3-[4-(4-benzhydrylpiperazin-1-yl)butyl]pyrazole-1-carboxylic acid CAS Name: 3-[4-[4-(diphenylmethyl)-1-piperazinyl]butyl]-1-pyrazolecarboxylic acid IUPAC Name: 3-[4-(4-benzhydrylpiperazin-1-yl)butyl]pyrazole-1-carboxylic acid Traditional Name: 3-[4-(4-benzhydrylpiperazino)butyl]pyrazole-1-carboxylic acid Formula: C25H30N4O2 MolecularWeight: 418.5313

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCC2=NN(C=C2)C(=O)O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCCCC2=NN(C=C2)C(=O)O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H30N4O2/c30-25(31)29-16-14-23(26-29)13-7-8-15-27-17-19-28(20-18-27)24(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-6,9-12,14,16,24H,7-8,13,15,17-20H2,(H,30,31)