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

Systemtic Name: 3-[8-[2-(1-ethanoyl-3,6-dihydro-2H-pyridin-4-yl)ethynyl]-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile Openeye Name: 3-[8-[2-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)ethynyl]-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile CAS Name: 3-[8-[2-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)ethynyl]-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile IUPAC Name: 3-[8-[2-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)ethynyl]-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Traditional Name: 3-[8-[2-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)ethynyl]-2-keto-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Formula: C25H20N4O2 MolecularWeight: 408.4519

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(=CC1)C#CC2=CC3=C(C=C2)N=C(CC(=O)N3)C4=CC=CC(=C4)C#N

Isomeric SMILES

CC(=O)N1CCC(=CC1)C#CC2=CC3=C(C=C2)N=C(CC(=O)N3)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C25H20N4O2/c1-17(30)29-11-9-18(10-12-29)5-6-19-7-8-22-24(14-19)28-25(31)15-23(27-22)21-4-2-3-20(13-21)16-26/h2-4,7-9,13-14H,10-12,15H2,1H3,(H,28,31)