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4-[[(3-fluorophenyl)methyl-[(4-nitrophenyl)methyl]amino]methyl]benzenecarbonitrile
4-[[(3-fluorophenyl)methyl-[(4-nitrophenyl)methyl]amino]methyl]benzenecarbonitrile
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Descriptors Computed from Structure
Canonical SMILES:
C1=CC(=CC(=C1)F)CN(CC2=CC=C(C=C2)C#N)CC3=CC=C(C=C3)[N+](=O)[O-]
Isomeric SMILES
C1=CC(=CC(=C1)F)CN(CC2=CC=C(C=C2)C#N)CC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C22H18FN3O2/c23-21-3-1-2-20(12-21)16-25(14-18-6-4-17(13-24)5-7-18)15-19-8-10-22(11-9-19)26(27)28/h1-12H,14-16H2
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