1-[2-[3-(2-butoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]ethyl]piperidine hydrochloride

Systemtic Name: 1-[2-[3-(2-butoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]ethyl]piperidine hydrochloride Openeye Name: 1-[2-[3-(2-butoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]ethyl]piperidine hydrochloride CAS Name: 1-[2-[3-(2-butoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]ethyl]piperidine hydrochloride IUPAC Name: 1-[2-[3-(2-butoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]ethyl]piperidine hydrochloride Traditional Name: 1-[2-[5-(2-butoxyphenyl)-1-phenyl-2-pyrazolin-3-yl]ethyl]piperidine hydrochloride Formula: C26H36ClN3O MolecularWeight: 442.03654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C2CC(=NN2C3=CC=CC=C3)CCN4CCCCC4.Cl

Isomeric SMILES

CCCCOC1=CC=CC=C1C2CC(=NN2C3=CC=CC=C3)CCN4CCCCC4.Cl

InChI

InChI=1S/C26H35N3O.ClH/c1-2-3-20-30-26-15-9-8-14-24(26)25-21-22(16-19-28-17-10-5-11-18-28)27-29(25)23-12-6-4-7-13-23;/h4,6-9,12-15,25H,2-3,5,10-11,16-21H2,1H3;1H