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

Systemtic Name: 4-(4-methyl-1,4-diazepan-1-yl)-2-(trifluoromethyl)benzenecarbonitrile Openeye Name: 4-(4-methyl-1,4-diazepan-1-yl)-2-(trifluoromethyl)benzonitrile CAS Name: 4-(4-methyl-1,4-diazepan-1-yl)-2-(trifluoromethyl)benzonitrile IUPAC Name: 4-(4-methyl-1,4-diazepan-1-yl)-2-(trifluoromethyl)benzonitrile Traditional Name: 4-(4-methyl-1,4-diazepan-1-yl)-2-(trifluoromethyl)benzonitrile Formula: C14H16F3N3 MolecularWeight: 283.29215

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=CC(=C(C=C2)C#N)C(F)(F)F

Isomeric SMILES

CN1CCCN(CC1)C2=CC(=C(C=C2)C#N)C(F)(F)F

InChI

InChI=1S/C14H16F3N3/c1-19-5-2-6-20(8-7-19)12-4-3-11(10-18)13(9-12)14(15,16)17/h3-4,9H,2,5-8H2,1H3