4-(2-azanylazepan-1-yl)benzenecarbonitrile

Systemtic Name: 4-(2-azanylazepan-1-yl)benzenecarbonitrile Openeye Name: 4-(2-aminoazepan-1-yl)benzonitrile CAS Name: 4-(2-amino-1-azepanyl)benzonitrile IUPAC Name: 4-(2-aminoazepan-1-yl)benzonitrile Traditional Name: 4-(2-aminoazepan-1-yl)benzonitrile Formula: C13H17N3 MolecularWeight: 215.29418

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(N(CC1)C2=CC=C(C=C2)C#N)N

Isomeric SMILES

C1CCC(N(CC1)C2=CC=C(C=C2)C#N)N

InChI

InChI=1S/C13H17N3/c14-10-11-5-7-12(8-6-11)16-9-3-1-2-4-13(16)15/h5-8,13H,1-4,9,15H2