3-[8-[2-(3,6-dihydro-2H-pyran-4-yl)ethynyl]-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile

Systemtic Name: 3-[8-[2-(3,6-dihydro-2H-pyran-4-yl)ethynyl]-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile Openeye Name: 3-[8-[2-(3,6-dihydro-2H-pyran-4-yl)ethynyl]-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile CAS Name: 3-[8-[2-(3,6-dihydro-2H-pyran-4-yl)ethynyl]-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile IUPAC Name: 3-[8-[2-(3,6-dihydro-2H-pyran-4-yl)ethynyl]-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Traditional Name: 3-[8-[2-(3,6-dihydro-2H-pyran-4-yl)ethynyl]-2-keto-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Formula: C23H17N3O2 MolecularWeight: 367.39998

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC=C1C#CC2=CC3=C(C=C2)N=C(CC(=O)N3)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1COCC=C1C#CC2=CC3=C(C=C2)N=C(CC(=O)N3)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C23H17N3O2/c24-15-18-2-1-3-19(12-18)21-14-23(27)26-22-13-17(6-7-20(22)25-21)5-4-16-8-10-28-11-9-16/h1-3,6-8,12-13H,9-11,14H2,(H,26,27)