3-fluoranyl-4-(4-methyl-1,4-diazepan-1-yl)benzenecarbonitrile

Systemtic Name: 3-fluoranyl-4-(4-methyl-1,4-diazepan-1-yl)benzenecarbonitrile Openeye Name: 3-fluoro-4-(4-methyl-1,4-diazepan-1-yl)benzonitrile CAS Name: 3-fluoro-4-(4-methyl-1,4-diazepan-1-yl)benzonitrile IUPAC Name: 3-fluoro-4-(4-methyl-1,4-diazepan-1-yl)benzonitrile Traditional Name: 3-fluoro-4-(4-methyl-1,4-diazepan-1-yl)benzonitrile Formula: C13H16FN3 MolecularWeight: 233.284643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16FN3/c1-16-5-2-6-17(8-7-16)13-4-3-11(10-15)9-12(13)14/h3-4,9H,2,5-8H2,1H3