5-(3,4-dimethylphenyl)-6-oxidanylidene-benzo[b][1,4]benzoxazepine-2,3-dicarbonitrile

Systemtic Name: 5-(3,4-dimethylphenyl)-6-oxidanylidene-benzo[b][1,4]benzoxazepine-2,3-dicarbonitrile Openeye Name: 5-(3,4-dimethylphenyl)-6-oxo-benzo[b][1,4]benzoxazepine-2,3-dicarbonitrile CAS Name: 5-(3,4-dimethylphenyl)-6-oxobenzo[b][1,4]benzoxazepine-2,3-dicarbonitrile IUPAC Name: 5-(3,4-dimethylphenyl)-6-oxobenzo[b][1,4]benzoxazepine-2,3-dicarbonitrile Traditional Name: 5-(3,4-dimethylphenyl)-6-keto-benzo[b][1,4]benzoxazepine-2,3-dicarbonitrile Formula: C23H15N3O2 MolecularWeight: 365.3841

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=C(C=C(C(=C3)C#N)C#N)OC4=CC=CC=C4C2=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=C(C=C(C(=C3)C#N)C#N)OC4=CC=CC=C4C2=O)C

InChI

InChI=1S/C23H15N3O2/c1-14-7-8-18(9-15(14)2)26-20-10-16(12-24)17(13-25)11-22(20)28-21-6-4-3-5-19(21)23(26)27/h3-11H,1-2H3