4-(7,7-diphenyl-1,4-oxazepan-4-yl)-1-(4-fluorophenyl)butan-1-one hydrochloride

Systemtic Name: 4-(7,7-diphenyl-1,4-oxazepan-4-yl)-1-(4-fluorophenyl)butan-1-one hydrochloride Openeye Name: 4-(7,7-diphenyl-1,4-oxazepan-4-yl)-1-(4-fluorophenyl)butan-1-one hydrochloride CAS Name: 4-(7,7-diphenyl-1,4-oxazepan-4-yl)-1-(4-fluorophenyl)-1-butanone hydrochloride IUPAC Name: 4-(7,7-diphenyl-1,4-oxazepan-4-yl)-1-(4-fluorophenyl)butan-1-one hydrochloride Traditional Name: 4-(7,7-diphenyl-1,4-oxazepan-4-yl)-1-(4-fluorophenyl)butan-1-one hydrochloride Formula: C27H29ClFNO2 MolecularWeight: 453.976063

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCOC1(C2=CC=CC=C2)C3=CC=CC=C3)CCCC(=O)C4=CC=C(C=C4)F.Cl

Isomeric SMILES

C1CN(CCOC1(C2=CC=CC=C2)C3=CC=CC=C3)CCCC(=O)C4=CC=C(C=C4)F.Cl

InChI

InChI=1S/C27H28FNO2.ClH/c28-25-15-13-22(14-16-25)26(30)12-7-18-29-19-17-27(31-21-20-29,23-8-3-1-4-9-23)24-10-5-2-6-11-24;/h1-6,8-11,13-16H,7,12,17-21H2;1H