2-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-3-phenyl-5,6,7,7a-tetrahydro-1,2-benzoxazol-4-one hydrochloride

Systemtic Name: 2-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-3-phenyl-5,6,7,7a-tetrahydro-1,2-benzoxazol-4-one hydrochloride Openeye Name: 2-[2-[4-(4-fluorobenzoyl)-1-piperidyl]ethyl]-3-phenyl-5,6,7,7a-tetrahydro-1,2-benzoxazol-4-one hydrochloride CAS Name: 2-[2-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]ethyl]-3-phenyl-5,6,7,7a-tetrahydro-1,2-benzoxazol-4-one hydrochloride IUPAC Name: 2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-3-phenyl-5,6,7,7a-tetrahydro-1,2-benzoxazol-4-one hydrochloride Traditional Name: 2-[2-[4-(4-fluorobenzoyl)piperidino]ethyl]-3-phenyl-5,6,7,7a-tetrahydroindoxazen-4-one hydrochloride Formula: C27H30ClFN2O3 MolecularWeight: 484.990103

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(=C(N(O2)CCN3CCC(CC3)C(=O)C4=CC=C(C=C4)F)C5=CC=CC=C5)C(=O)C1.Cl

Isomeric SMILES

C1CC2C(=C(N(O2)CCN3CCC(CC3)C(=O)C4=CC=C(C=C4)F)C5=CC=CC=C5)C(=O)C1.Cl

InChI

InChI=1S/C27H29FN2O3.ClH/c28-22-11-9-20(10-12-22)27(32)21-13-15-29(16-14-21)17-18-30-26(19-5-2-1-3-6-19)25-23(31)7-4-8-24(25)33-30;/h1-3,5-6,9-12,21,24H,4,7-8,13-18H2;1H