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

Systemtic Name: 3-[8-[2-(4-methylphenyl)ethynyl]-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile Openeye Name: 3-[2-oxo-8-[2-(p-tolyl)ethynyl]-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile CAS Name: 3-[8-[2-(4-methylphenyl)ethynyl]-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile IUPAC Name: 3-[8-[2-(4-methylphenyl)ethynyl]-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Traditional Name: 3-[2-keto-8-[2-(p-tolyl)ethynyl]-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Formula: C25H17N3O MolecularWeight: 375.42198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CC2=CC3=C(C=C2)N=C(CC(=O)N3)C4=CC=CC(=C4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C#CC2=CC3=C(C=C2)N=C(CC(=O)N3)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C25H17N3O/c1-17-5-7-18(8-6-17)9-10-19-11-12-22-24(14-19)28-25(29)15-23(27-22)21-4-2-3-20(13-21)16-26/h2-8,11-14H,15H2,1H3,(H,28,29)