[4-[4-fluoranyl-5-[(2S)-2-methylpiperidin-1-yl]-2-nitro-phenyl]piperazin-1-yl]-(furan-2-yl)methanone

Systemtic Name: [4-[4-fluoranyl-5-[(2S)-2-methylpiperidin-1-yl]-2-nitro-phenyl]piperazin-1-yl]-(furan-2-yl)methanone Openeye Name: [4-[4-fluoro-5-[(2S)-2-methyl-1-piperidyl]-2-nitro-phenyl]piperazin-1-yl]-(2-furyl)methanone CAS Name: [4-[4-fluoro-5-[(2S)-2-methyl-1-piperidinyl]-2-nitrophenyl]-1-piperazinyl]-(2-furanyl)methanone IUPAC Name: [4-[4-fluoro-5-[(2S)-2-methylpiperidin-1-yl]-2-nitrophenyl]piperazin-1-yl]-(furan-2-yl)methanone Traditional Name: [4-[4-fluoro-5-[(2S)-2-methylpiperidino]-2-nitro-phenyl]piperazino]-(2-furyl)methanone Formula: C21H25FN4O4 MolecularWeight: 416.446003

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=C(C=C(C(=C2)N3CCN(CC3)C(=O)C4=CC=CO4)[N+](=O)[O-])F

Isomeric SMILES

C[C@H]1CCCCN1C2=C(C=C(C(=C2)N3CCN(CC3)C(=O)C4=CC=CO4)[N+](=O)[O-])F

InChI

InChI=1S/C21H25FN4O4/c1-15-5-2-3-7-25(15)17-14-18(19(26(28)29)13-16(17)22)23-8-10-24(11-9-23)21(27)20-6-4-12-30-20/h4,6,12-15H,2-3,5,7-11H2,1H3/t15-/m0/s1