3-[2-[(4-fluorophenyl)methyl-methyl-amino]ethyl]-2-nitro-N5-pyridin-2-yl-pent-1-ene-1,1,5-triamine

Systemtic Name: 3-[2-[(4-fluorophenyl)methyl-methyl-amino]ethyl]-2-nitro-N5-pyridin-2-yl-pent-1-ene-1,1,5-triamine Openeye Name: 3-[2-[(4-fluorophenyl)methyl-methyl-amino]ethyl]-2-nitro-N5-(2-pyridyl)pent-1-ene-1,1,5-triamine CAS Name: 3-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-nitro-N5-(2-pyridinyl)-1-pentene-1,1,5-triamine IUPAC Name: 3-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-nitro-5-N-pyridin-2-ylpent-1-ene-1,1,5-triamine Traditional Name: [5,5-diamino-4-nitro-3-[2-(2-pyridylamino)ethyl]pent-4-enyl]-(4-fluorobenzyl)-methyl-amine Formula: C20H27FN6O2 MolecularWeight: 402.465783

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(CCNC1=CC=CC=N1)C(=C(N)N)[N+](=O)[O-])CC2=CC=C(C=C2)F

Isomeric SMILES

CN(CCC(CCNC1=CC=CC=N1)C(=C(N)N)[N+](=O)[O-])CC2=CC=C(C=C2)F

InChI

InChI=1S/C20H27FN6O2/c1-26(14-15-5-7-17(21)8-6-15)13-10-16(19(20(22)23)27(28)29)9-12-25-18-4-2-3-11-24-18/h2-8,11,16H,9-10,12-14,22-23H2,1H3,(H,24,25)