1-(4-fluorophenyl)-4-(5-nitrospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)butan-1-one hydrochloride

Systemtic Name: 1-(4-fluorophenyl)-4-(5-nitrospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)butan-1-one hydrochloride Openeye Name: 1-(4-fluorophenyl)-4-(5-nitrospiro[3H-benzofuran-2,4'-piperidine]-1'-yl)butan-1-one hydrochloride CAS Name: 1-(4-fluorophenyl)-4-(5-nitro-1'-spiro[3H-benzofuran-2,4'-piperidine]yl)-1-butanone hydrochloride IUPAC Name: 1-(4-fluorophenyl)-4-(5-nitrospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)butan-1-one hydrochloride Traditional Name: 1-(4-fluorophenyl)-4-(5-nitrospiro[coumaran-2,4'-piperidine]-1'-yl)butan-1-one hydrochloride Formula: C22H24ClFN2O4 MolecularWeight: 434.888363

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12CC3=C(O2)C=CC(=C3)[N+](=O)[O-])CCCC(=O)C4=CC=C(C=C4)F.Cl

Isomeric SMILES

C1CN(CCC12CC3=C(O2)C=CC(=C3)[N+](=O)[O-])CCCC(=O)C4=CC=C(C=C4)F.Cl

InChI

InChI=1S/C22H23FN2O4.ClH/c23-18-5-3-16(4-6-18)20(26)2-1-11-24-12-9-22(10-13-24)15-17-14-19(25(27)28)7-8-21(17)29-22;/h3-8,14H,1-2,9-13,15H2;1H