4-[[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-nitro-benzenecarbonitrile Openeye Name: 4-[[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-nitro-benzonitrile CAS Name: 4-[[(S)-(3-fluorophenyl)-(1-methyl-2-imidazolyl)methyl]amino]-3-nitrobenzonitrile IUPAC Name: 4-[[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-nitrobenzonitrile Traditional Name: 4-[[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-nitro-benzonitrile Formula: C18H14FN5O2 MolecularWeight: 351.334463

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC(=CC=C2)F)NC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1[C@H](C2=CC(=CC=C2)F)NC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H14FN5O2/c1-23-8-7-21-18(23)17(13-3-2-4-14(19)10-13)22-15-6-5-12(11-20)9-16(15)24(25)26/h2-10,17,22H,1H3/t17-/m0/s1