1-[4-[2-(diphenylmethyl)piperazin-1-yl]butyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[4-[2-(diphenylmethyl)piperazin-1-yl]butyl]pyrazole-4-carboxylic acid Openeye Name: 1-[4-(2-benzhydrylpiperazin-1-yl)butyl]pyrazole-4-carboxylic acid CAS Name: 1-[4-[2-(diphenylmethyl)-1-piperazinyl]butyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[4-(2-benzhydrylpiperazin-1-yl)butyl]pyrazole-4-carboxylic acid Traditional Name: 1-[4-(2-benzhydrylpiperazino)butyl]pyrazole-4-carboxylic acid Formula: C25H30N4O2 MolecularWeight: 418.5313

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)C(C2=CC=CC=C2)C3=CC=CC=C3)CCCCN4C=C(C=N4)C(=O)O

Isomeric SMILES

C1CN(C(CN1)C(C2=CC=CC=C2)C3=CC=CC=C3)CCCCN4C=C(C=N4)C(=O)O

InChI

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