3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-ethyl-5-(trifluoromethyl)quinazolin-4-one hydrochloride

Systemtic Name: 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-ethyl-5-(trifluoromethyl)quinazolin-4-one hydrochloride Openeye Name: 3-[4-[(1-cyclobutyl-4-piperidyl)oxy]phenyl]-2-ethyl-5-(trifluoromethyl)quinazolin-4-one hydrochloride CAS Name: 3-[4-[(1-cyclobutyl-4-piperidinyl)oxy]phenyl]-2-ethyl-5-(trifluoromethyl)-4-quinazolinone hydrochloride IUPAC Name: 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-ethyl-5-(trifluoromethyl)quinazolin-4-one hydrochloride Traditional Name: 3-[4-[(1-cyclobutyl-4-piperidyl)oxy]phenyl]-2-ethyl-5-(trifluoromethyl)quinazolin-4-one hydrochloride Formula: C26H29ClF3N3O2 MolecularWeight: 507.97557

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC(=C2C(=O)N1C3=CC=C(C=C3)OC4CCN(CC4)C5CCC5)C(F)(F)F.Cl

Isomeric SMILES

CCC1=NC2=CC=CC(=C2C(=O)N1C3=CC=C(C=C3)OC4CCN(CC4)C5CCC5)C(F)(F)F.Cl

InChI

InChI=1S/C26H28F3N3O2.ClH/c1-2-23-30-22-8-4-7-21(26(27,28)29)24(22)25(33)32(23)18-9-11-19(12-10-18)34-20-13-15-31(16-14-20)17-5-3-6-17;/h4,7-12,17,20H,2-3,5-6,13-16H2,1H3;1H