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

Systemtic Name: 4-(azepan-1-yl)-5-(4-quinoxalin-2-ylphenoxy)benzene-1,2-dicarbonitrile Openeye Name: 4-(azepan-1-yl)-5-(4-quinoxalin-2-ylphenoxy)phthalonitrile CAS Name: 4-(1-azepanyl)-5-[4-(2-quinoxalinyl)phenoxy]benzene-1,2-dicarbonitrile IUPAC Name: 4-(azepan-1-yl)-5-(4-quinoxalin-2-ylphenoxy)benzene-1,2-dicarbonitrile Traditional Name: 4-(azepan-1-yl)-5-(4-quinoxalin-2-ylphenoxy)phthalonitrile Formula: C28H23N5O MolecularWeight: 445.51512

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C(=C2)C#N)C#N)OC3=CC=C(C=C3)C4=NC5=CC=CC=C5N=C4

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C(=C2)C#N)C#N)OC3=CC=C(C=C3)C4=NC5=CC=CC=C5N=C4

InChI

InChI=1S/C28H23N5O/c29-17-21-15-27(33-13-5-1-2-6-14-33)28(16-22(21)18-30)34-23-11-9-20(10-12-23)26-19-31-24-7-3-4-8-25(24)32-26/h3-4,7-12,15-16,19H,1-2,5-6,13-14H2