3-(8-naphthalen-1-yl-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-4-yl)benzenecarbonitrile

Systemtic Name: 3-(8-naphthalen-1-yl-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-4-yl)benzenecarbonitrile Openeye Name: 3-[8-(1-naphthyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile CAS Name: 3-[8-(1-naphthalenyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile IUPAC Name: 3-(8-naphthalen-1-yl-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl)benzonitrile Traditional Name: 3-[2-keto-8-(1-naphthyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Formula: C26H17N3O MolecularWeight: 387.43268

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=C(C=C2)C3=CC=CC4=CC=CC=C43)NC1=O)C5=CC=CC(=C5)C#N

Isomeric SMILES

C1C(=NC2=C(C=C(C=C2)C3=CC=CC4=CC=CC=C43)NC1=O)C5=CC=CC(=C5)C#N

InChI

InChI=1S/C26H17N3O/c27-16-17-5-3-8-20(13-17)24-15-26(30)29-25-14-19(11-12-23(25)28-24)22-10-4-7-18-6-1-2-9-21(18)22/h1-14H,15H2,(H,29,30)