4-[4-ethynyl-4-(2-nitrophenoxy)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one hydrochloride

Systemtic Name: 4-[4-ethynyl-4-(2-nitrophenoxy)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one hydrochloride Openeye Name: 4-[4-ethynyl-4-(2-nitrophenoxy)-1-piperidyl]-1-(4-fluorophenyl)butan-1-one hydrochloride CAS Name: 4-[4-ethynyl-4-(2-nitrophenoxy)-1-piperidinyl]-1-(4-fluorophenyl)-1-butanone hydrochloride IUPAC Name: 4-[4-ethynyl-4-(2-nitrophenoxy)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one hydrochloride Traditional Name: 4-[4-ethynyl-4-(2-nitrophenoxy)piperidino]-1-(4-fluorophenyl)butan-1-one hydrochloride Formula: C23H24ClFN2O4 MolecularWeight: 446.899063

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F)OC3=CC=CC=C3[N+](=O)[O-].Cl

Isomeric SMILES

C#CC1(CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F)OC3=CC=CC=C3[N+](=O)[O-].Cl

InChI

InChI=1S/C23H23FN2O4.ClH/c1-2-23(30-22-8-4-3-6-20(22)26(28)29)13-16-25(17-14-23)15-5-7-21(27)18-9-11-19(24)12-10-18;/h1,3-4,6,8-12H,5,7,13-17H2;1H