3-[8-(3-methyl-3-oxidanyl-but-1-ynyl)-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile

Systemtic Name: 3-[8-(3-methyl-3-oxidanyl-but-1-ynyl)-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile Openeye Name: 3-[8-(3-hydroxy-3-methyl-but-1-ynyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile CAS Name: 3-[8-(3-hydroxy-3-methylbut-1-ynyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile IUPAC Name: 3-[8-(3-hydroxy-3-methylbut-1-ynyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Traditional Name: 3-[8-(3-hydroxy-3-methyl-but-1-ynyl)-2-keto-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Formula: C21H17N3O2 MolecularWeight: 343.37858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC2=C(C=C1)N=C(CC(=O)N2)C3=CC=CC(=C3)C#N)O

Isomeric SMILES

CC(C)(C#CC1=CC2=C(C=C1)N=C(CC(=O)N2)C3=CC=CC(=C3)C#N)O

InChI

InChI=1S/C21H17N3O2/c1-21(2,26)9-8-14-6-7-17-19(11-14)24-20(25)12-18(23-17)16-5-3-4-15(10-16)13-22/h3-7,10-11,26H,12H2,1-2H3,(H,24,25)