4-(1,4-diazepan-1-yl)-2-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 4-(1,4-diazepan-1-yl)-2-(trifluoromethyl)benzenecarbonitrile Openeye Name: 4-(1,4-diazepan-1-yl)-2-(trifluoromethyl)benzonitrile CAS Name: 4-(1,4-diazepan-1-yl)-2-(trifluoromethyl)benzonitrile IUPAC Name: 4-(1,4-diazepan-1-yl)-2-(trifluoromethyl)benzonitrile Traditional Name: 4-(1,4-diazepan-1-yl)-2-(trifluoromethyl)benzonitrile Formula: C13H14F3N3 MolecularWeight: 269.26557

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=CC(=C(C=C2)C#N)C(F)(F)F

Isomeric SMILES

C1CNCCN(C1)C2=CC(=C(C=C2)C#N)C(F)(F)F

InChI

InChI=1S/C13H14F3N3/c14-13(15,16)12-8-11(3-2-10(12)9-17)19-6-1-4-18-5-7-19/h2-3,8,18H,1,4-7H2