2-[3-(azepan-1-yl)quinoxalin-2-yl]propanedinitrile

Systemtic Name: 2-[3-(azepan-1-yl)quinoxalin-2-yl]propanedinitrile Openeye Name: 2-[3-(azepan-1-yl)quinoxalin-2-yl]propanedinitrile CAS Name: 2-[3-(1-azepanyl)-2-quinoxalinyl]propanedinitrile IUPAC Name: 2-[3-(azepan-1-yl)quinoxalin-2-yl]propanedinitrile Traditional Name: 2-[3-(azepan-1-yl)quinoxalin-2-yl]malononitrile Formula: C17H17N5 MolecularWeight: 291.35038

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)C#N

Isomeric SMILES

C1CCCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)C#N

InChI

InChI=1S/C17H17N5/c18-11-13(12-19)16-17(22-9-5-1-2-6-10-22)21-15-8-4-3-7-14(15)20-16/h3-4,7-8,13H,1-2,5-6,9-10H2