2-(azepan-1-yl)benzene-1,3-dicarbonitrile

Systemtic Name: 2-(azepan-1-yl)benzene-1,3-dicarbonitrile Openeye Name: 2-(azepan-1-yl)benzene-1,3-dicarbonitrile CAS Name: 2-(1-azepanyl)benzene-1,3-dicarbonitrile IUPAC Name: 2-(azepan-1-yl)benzene-1,3-dicarbonitrile Traditional Name: 2-(azepan-1-yl)isophthalonitrile Formula: C14H15N3 MolecularWeight: 225.289

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=CC=C2C#N)C#N

Isomeric SMILES

C1CCCN(CC1)C2=C(C=CC=C2C#N)C#N

InChI

InChI=1S/C14H15N3/c15-10-12-6-5-7-13(11-16)14(12)17-8-3-1-2-4-9-17/h5-7H,1-4,8-9H2