3-[8-[2-(1-methylsulfonyl-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-methylsulfonyl-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-methylsulfonyl-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-methylsulfonyl-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-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)ethynyl]-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Traditional Name: 3-[2-keto-8-[2-(1-mesyl-3,6-dihydro-2H-pyridin-4-yl)ethynyl]-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Formula: C24H20N4O3S MolecularWeight: 444.5056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20N4O3S/c1-32(30,31)28-11-9-17(10-12-28)5-6-18-7-8-21-23(14-18)27-24(29)15-22(26-21)20-4-2-3-19(13-20)16-25/h2-4,7-9,13-14H,10-12,15H2,1H3,(H,27,29)