1-(4-fluoranyl-2-nitro-phenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one hydrochloride

Systemtic Name: 1-(4-fluoranyl-2-nitro-phenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one hydrochloride Openeye Name: 1-(4-fluoro-2-nitro-phenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one hydrochloride CAS Name: 1-(4-fluoro-2-nitrophenyl)-4-[4-(2-methoxyphenyl)-1-piperazinyl]-1-butanone hydrochloride IUPAC Name: 1-(4-fluoro-2-nitrophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one hydrochloride Traditional Name: 1-(4-fluoro-2-nitro-phenyl)-4-[4-(2-methoxyphenyl)piperazino]butan-1-one hydrochloride Formula: C21H25ClFN3O4 MolecularWeight: 437.892303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCCC(=O)C3=C(C=C(C=C3)F)[N+](=O)[O-].Cl

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCCC(=O)C3=C(C=C(C=C3)F)[N+](=O)[O-].Cl

InChI

InChI=1S/C21H24FN3O4.ClH/c1-29-21-7-3-2-5-18(21)24-13-11-23(12-14-24)10-4-6-20(26)17-9-8-16(22)15-19(17)25(27)28;/h2-3,5,7-9,15H,4,6,10-14H2,1H3;1H