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

Systemtic Name: 3-[2-oxidanylidene-8-[2-(4-oxidanyloxan-4-yl)ethynyl]-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile Openeye Name: 3-[8-[2-(4-hydroxytetrahydropyran-4-yl)ethynyl]-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile CAS Name: 3-[8-[2-(4-hydroxy-4-oxanyl)ethynyl]-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile IUPAC Name: 3-[8-[2-(4-hydroxyoxan-4-yl)ethynyl]-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Traditional Name: 3-[8-[2-(4-hydroxytetrahydropyran-4-yl)ethynyl]-2-keto-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Formula: C23H19N3O3 MolecularWeight: 385.41526

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(C#CC2=CC3=C(C=C2)N=C(CC(=O)N3)C4=CC=CC(=C4)C#N)O

Isomeric SMILES

C1COCCC1(C#CC2=CC3=C(C=C2)N=C(CC(=O)N3)C4=CC=CC(=C4)C#N)O

InChI

InChI=1S/C23H19N3O3/c24-15-17-2-1-3-18(12-17)20-14-22(27)26-21-13-16(4-5-19(21)25-20)6-7-23(28)8-10-29-11-9-23/h1-5,12-13,28H,8-11,14H2,(H,26,27)