3-[4-(5-bromanylpentyl)-3-oxidanylidene-quinoxalin-2-yl]benzenecarbonitrile

Systemtic Name: 3-[4-(5-bromanylpentyl)-3-oxidanylidene-quinoxalin-2-yl]benzenecarbonitrile Openeye Name: 3-[4-(5-bromopentyl)-3-oxo-quinoxalin-2-yl]benzonitrile CAS Name: 3-[4-(5-bromopentyl)-3-oxo-2-quinoxalinyl]benzonitrile IUPAC Name: 3-[4-(5-bromopentyl)-3-oxoquinoxalin-2-yl]benzonitrile Traditional Name: 3-[4-(5-bromopentyl)-3-keto-quinoxalin-2-yl]benzonitrile Formula: C20H18BrN3O MolecularWeight: 396.28042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(C(=O)N2CCCCCBr)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(C(=O)N2CCCCCBr)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H18BrN3O/c21-11-4-1-5-12-24-18-10-3-2-9-17(18)23-19(20(24)25)16-8-6-7-15(13-16)14-22/h2-3,6-10,13H,1,4-5,11-12H2