N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-2-nitro-4-(trifluoromethyl)aniline

Systemtic Name: N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-2-nitro-4-(trifluoromethyl)aniline Openeye Name: N-[[6-(4-methylpiperazin-1-yl)-3-pyridyl]methyl]-2-nitro-4-(trifluoromethyl)aniline CAS Name: N-[[6-(4-methyl-1-piperazinyl)-3-pyridinyl]methyl]-2-nitro-4-(trifluoromethyl)aniline IUPAC Name: N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-2-nitro-4-(trifluoromethyl)aniline Traditional Name: [6-(4-methylpiperazino)-3-pyridyl]methyl-[2-nitro-4-(trifluoromethyl)phenyl]amine Formula: C18H20F3N5O2 MolecularWeight: 395.37891

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=C(C=C2)CNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=NC=C(C=C2)CNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H20F3N5O2/c1-24-6-8-25(9-7-24)17-5-2-13(12-23-17)11-22-15-4-3-14(18(19,20)21)10-16(15)26(27)28/h2-5,10,12,22H,6-9,11H2,1H3