4-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methyl-amino]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methyl-amino]-3-nitro-benzenecarbonitrile Openeye Name: 4-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methyl-amino]-3-nitro-benzonitrile CAS Name: 4-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-3-nitrobenzonitrile IUPAC Name: 4-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-3-nitrobenzonitrile Traditional Name: 4-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methyl-amino]-3-nitro-benzonitrile Formula: C20H18FN5O2 MolecularWeight: 379.387623

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1=CC(=NN1)C2=CC=C(C=C2)F)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

CN(CCCC1=CC(=NN1)C2=CC=C(C=C2)F)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C20H18FN5O2/c1-25(19-9-4-14(13-22)11-20(19)26(27)28)10-2-3-17-12-18(24-23-17)15-5-7-16(21)8-6-15/h4-9,11-12H,2-3,10H2,1H3,(H,23,24)