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

Systemtic Name: 3-[7-chloranyl-2-oxidanylidene-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile Openeye Name: 3-[7-chloro-2-oxo-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile CAS Name: 3-[7-chloro-2-oxo-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile IUPAC Name: 3-[7-chloro-2-oxo-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Traditional Name: 3-[7-chloro-2-keto-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Formula: C24H14ClN3O MolecularWeight: 395.84046

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=C(C(=C2)Cl)C#CC3=CC=CC=C3)NC1=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1C(=NC2=C(C=C(C(=C2)Cl)C#CC3=CC=CC=C3)NC1=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C24H14ClN3O/c25-20-13-23-22(12-18(20)10-9-16-5-2-1-3-6-16)28-24(29)14-21(27-23)19-8-4-7-17(11-19)15-26/h1-8,11-13H,14H2,(H,28,29)