1-[4-[4-fluoranyl-5-[(2S)-2-methylpiperidin-1-yl]-2-nitro-phenyl]piperazin-1-yl]-2,2-dimethyl-propan-1-one

Systemtic Name: 1-[4-[4-fluoranyl-5-[(2S)-2-methylpiperidin-1-yl]-2-nitro-phenyl]piperazin-1-yl]-2,2-dimethyl-propan-1-one Openeye Name: 1-[4-[4-fluoro-5-[(2S)-2-methyl-1-piperidyl]-2-nitro-phenyl]piperazin-1-yl]-2,2-dimethyl-propan-1-one CAS Name: 1-[4-[4-fluoro-5-[(2S)-2-methyl-1-piperidinyl]-2-nitrophenyl]-1-piperazinyl]-2,2-dimethyl-1-propanone IUPAC Name: 1-[4-[4-fluoro-5-[(2S)-2-methylpiperidin-1-yl]-2-nitrophenyl]piperazin-1-yl]-2,2-dimethylpropan-1-one Traditional Name: 1-[4-[4-fluoro-5-[(2S)-2-methylpiperidino]-2-nitro-phenyl]piperazino]-2,2-dimethyl-propan-1-one Formula: C21H31FN4O3 MolecularWeight: 406.494243

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=C(C=C(C(=C2)N3CCN(CC3)C(=O)C(C)(C)C)[N+](=O)[O-])F

Isomeric SMILES

C[C@H]1CCCCN1C2=C(C=C(C(=C2)N3CCN(CC3)C(=O)C(C)(C)C)[N+](=O)[O-])F

InChI

InChI=1S/C21H31FN4O3/c1-15-7-5-6-8-25(15)17-14-18(19(26(28)29)13-16(17)22)23-9-11-24(12-10-23)20(27)21(2,3)4/h13-15H,5-12H2,1-4H3/t15-/m0/s1