4-(azepan-1-yl)-5-chloranyl-benzene-1,2-dicarbonitrile

Systemtic Name: 4-(azepan-1-yl)-5-chloranyl-benzene-1,2-dicarbonitrile Openeye Name: 4-(azepan-1-yl)-5-chloro-phthalonitrile CAS Name: 4-(1-azepanyl)-5-chlorobenzene-1,2-dicarbonitrile IUPAC Name: 4-(azepan-1-yl)-5-chlorobenzene-1,2-dicarbonitrile Traditional Name: 4-(azepan-1-yl)-5-chloro-phthalonitrile Formula: C14H14ClN3 MolecularWeight: 259.73406

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C(=C2)C#N)C#N)Cl

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C(=C2)C#N)C#N)Cl

InChI

InChI=1S/C14H14ClN3/c15-13-7-11(9-16)12(10-17)8-14(13)18-5-3-1-2-4-6-18/h7-8H,1-6H2