3-[7-methoxy-2-oxidanylidene-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile

Systemtic Name: 3-[7-methoxy-2-oxidanylidene-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile Openeye Name: 3-[7-methoxy-2-oxo-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile CAS Name: 3-[7-methoxy-2-oxo-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile IUPAC Name: 3-[7-methoxy-2-oxo-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Traditional Name: 3-[2-keto-7-methoxy-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Formula: C25H17N3O2 MolecularWeight: 391.42138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1C#CC3=CC=CC=C3)NC(=O)CC(=N2)C4=CC=CC(=C4)C#N

Isomeric SMILES

COC1=CC2=C(C=C1C#CC3=CC=CC=C3)NC(=O)CC(=N2)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C25H17N3O2/c1-30-24-14-23-22(13-20(24)11-10-17-6-3-2-4-7-17)28-25(29)15-21(27-23)19-9-5-8-18(12-19)16-26/h2-9,12-14H,15H2,1H3,(H,28,29)