4-azanyl-3-fluoranyl-2-[4-(2-fluoranylethyl)-2-methyl-piperazin-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 4-azanyl-3-fluoranyl-2-[4-(2-fluoranylethyl)-2-methyl-piperazin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 4-amino-3-fluoro-2-[4-(2-fluoroethyl)-2-methyl-piperazin-1-yl]-5-nitro-benzonitrile CAS Name: 4-amino-3-fluoro-2-[4-(2-fluoroethyl)-2-methyl-1-piperazinyl]-5-nitrobenzonitrile IUPAC Name: 4-amino-3-fluoro-2-[4-(2-fluoroethyl)-2-methylpiperazin-1-yl]-5-nitrobenzonitrile Traditional Name: 4-amino-3-fluoro-2-[4-(2-fluoroethyl)-2-methyl-piperazino]-5-nitro-benzonitrile Formula: C14H17F2N5O2 MolecularWeight: 325.313886

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=C(C(=C(C=C2C#N)[N+](=O)[O-])N)F)CCF

Isomeric SMILES

CC1CN(CCN1C2=C(C(=C(C=C2C#N)[N+](=O)[O-])N)F)CCF

InChI

InChI=1S/C14H17F2N5O2/c1-9-8-19(3-2-15)4-5-20(9)14-10(7-17)6-11(21(22)23)13(18)12(14)16/h6,9H,2-5,8,18H2,1H3