ethyl 5-[4-[4-(diphenylmethyl)piperazin-1-yl]butyl]-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[4-[4-(diphenylmethyl)piperazin-1-yl]butyl]-1H-pyrazole-4-carboxylate Openeye Name: ethyl 5-[4-(4-benzhydrylpiperazin-1-yl)butyl]-1H-pyrazole-4-carboxylate CAS Name: 5-[4-[4-(diphenylmethyl)-1-piperazinyl]butyl]-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(4-benzhydrylpiperazin-1-yl)butyl]-1H-pyrazole-4-carboxylate Traditional Name: 5-[4-(4-benzhydrylpiperazino)butyl]-1H-pyrazole-4-carboxylic acid ethyl ester Formula: C27H34N4O2 MolecularWeight: 446.58446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN=C1)CCCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(NN=C1)CCCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H34N4O2/c1-2-33-27(32)24-21-28-29-25(24)15-9-10-16-30-17-19-31(20-18-30)26(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-8,11-14,21,26H,2,9-10,15-20H2,1H3,(H,28,29)