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

Systemtic Name: [1-[[(E)-1-azanyl-2-nitro-pent-1-enyl]-methyl-amino]piperidin-4-yl]-(4-fluorophenyl)methanone Openeye Name: [1-[[(E)-1-amino-2-nitro-pent-1-enyl]-methyl-amino]-4-piperidyl]-(4-fluorophenyl)methanone CAS Name: [1-[[(E)-1-amino-2-nitropent-1-enyl]-methylamino]-4-piperidinyl]-(4-fluorophenyl)methanone IUPAC Name: [1-[[(E)-1-amino-2-nitropent-1-enyl]-methylamino]piperidin-4-yl]-(4-fluorophenyl)methanone Traditional Name: [1-[[(E)-1-amino-2-nitro-pent-1-enyl]-methyl-amino]-4-piperidyl]-(4-fluorophenyl)methanone Formula: C18H25FN4O3 MolecularWeight: 364.414503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25FN4O3/c1-3-4-16(23(25)26)18(20)21(2)22-11-9-14(10-12-22)17(24)13-5-7-15(19)8-6-13/h5-8,14H,3-4,9-12,20H2,1-2H3/b18-16+