3-[2-oxidanylidene-8-[2-(3-oxidanylidenecyclohexen-1-yl)ethynyl]-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile

Systemtic Name: 3-[2-oxidanylidene-8-[2-(3-oxidanylidenecyclohexen-1-yl)ethynyl]-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile Openeye Name: 3-[2-oxo-8-[2-(3-oxocyclohexen-1-yl)ethynyl]-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile CAS Name: 3-[2-oxo-8-[2-(3-oxo-1-cyclohexenyl)ethynyl]-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile IUPAC Name: 3-[2-oxo-8-[2-(3-oxocyclohexen-1-yl)ethynyl]-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Traditional Name: 3-[2-keto-8-[2-(3-ketocyclohexen-1-yl)ethynyl]-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Formula: C24H17N3O2 MolecularWeight: 379.41068

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC(=O)C1)C#CC2=CC3=C(C=C2)N=C(CC(=O)N3)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1CC(=CC(=O)C1)C#CC2=CC3=C(C=C2)N=C(CC(=O)N3)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C24H17N3O2/c25-15-18-4-1-5-19(11-18)22-14-24(29)27-23-13-17(9-10-21(23)26-22)8-7-16-3-2-6-20(28)12-16/h1,4-5,9-13H,2-3,6,14H2,(H,27,29)