[1-[[(E)-1-azanyl-2-nitro-but-1-enyl]-methyl-amino]piperidin-4-yl]-(4-fluorophenyl)methanone

Systemtic Name: [1-[[(E)-1-azanyl-2-nitro-but-1-enyl]-methyl-amino]piperidin-4-yl]-(4-fluorophenyl)methanone Openeye Name: [1-[[(E)-1-amino-2-nitro-but-1-enyl]-methyl-amino]-4-piperidyl]-(4-fluorophenyl)methanone CAS Name: [1-[[(E)-1-amino-2-nitrobut-1-enyl]-methylamino]-4-piperidinyl]-(4-fluorophenyl)methanone IUPAC Name: [1-[[(E)-1-amino-2-nitrobut-1-enyl]-methylamino]piperidin-4-yl]-(4-fluorophenyl)methanone Traditional Name: [1-[[(E)-1-amino-2-nitro-but-1-enyl]-methyl-amino]-4-piperidyl]-(4-fluorophenyl)methanone Formula: C17H23FN4O3 MolecularWeight: 350.387923

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(N)N(C)N1CCC(CC1)C(=O)C2=CC=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CC/C(=C(/N)\N(C)N1CCC(CC1)C(=O)C2=CC=C(C=C2)F)/[N+](=O)[O-]

InChI

InChI=1S/C17H23FN4O3/c1-3-15(22(24)25)17(19)20(2)21-10-8-13(9-11-21)16(23)12-4-6-14(18)7-5-12/h4-7,13H,3,8-11,19H2,1-2H3/b17-15+