3-[[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]carbonyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]carbonyl]benzenecarbonitrile Openeye Name: 3-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepane-1-carbonyl]benzonitrile CAS Name: 3-[oxo-[4-(3-phenyl-2-quinoxalinyl)-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 3-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepane-1-carbonyl]benzonitrile Traditional Name: 3-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepane-1-carbonyl]benzonitrile Formula: C27H23N5O MolecularWeight: 433.50442

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=CC(=C2)C#N)C3=NC4=CC=CC=C4N=C3C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=CC(=C2)C#N)C3=NC4=CC=CC=C4N=C3C5=CC=CC=C5

InChI

InChI=1S/C27H23N5O/c28-19-20-8-6-11-22(18-20)27(33)32-15-7-14-31(16-17-32)26-25(21-9-2-1-3-10-21)29-23-12-4-5-13-24(23)30-26/h1-6,8-13,18H,7,14-17H2