3-[[7-chloranyl-2-oxidanylidene-5-(trifluoromethyl)-3,5-dihydro-1H-1,4-benzodiazepin-4-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[7-chloranyl-2-oxidanylidene-5-(trifluoromethyl)-3,5-dihydro-1H-1,4-benzodiazepin-4-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[7-chloro-2-oxo-5-(trifluoromethyl)-3,5-dihydro-1H-1,4-benzodiazepin-4-yl]methyl]benzonitrile CAS Name: 3-[[7-chloro-2-oxo-5-(trifluoromethyl)-3,5-dihydro-1H-1,4-benzodiazepin-4-yl]methyl]benzonitrile IUPAC Name: 3-[[7-chloro-2-oxo-5-(trifluoromethyl)-3,5-dihydro-1H-1,4-benzodiazepin-4-yl]methyl]benzonitrile Traditional Name: 3-[[7-chloro-2-keto-5-(trifluoromethyl)-3,5-dihydro-1H-1,4-benzodiazepin-4-yl]methyl]benzonitrile Formula: C18H13ClF3N3O MolecularWeight: 379.76353

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(C=C(C=C2)Cl)C(N1CC3=CC=CC(=C3)C#N)C(F)(F)F

Isomeric SMILES

C1C(=O)NC2=C(C=C(C=C2)Cl)C(N1CC3=CC=CC(=C3)C#N)C(F)(F)F

InChI

InChI=1S/C18H13ClF3N3O/c19-13-4-5-15-14(7-13)17(18(20,21)22)25(10-16(26)24-15)9-12-3-1-2-11(6-12)8-23/h1-7,17H,9-10H2,(H,24,26)