5-(2-fluorophenyl)-3,3-dimethyl-2-oxidanylidene-1H-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 5-(2-fluorophenyl)-3,3-dimethyl-2-oxidanylidene-1H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 5-(2-fluorophenyl)-3,3-dimethyl-2-oxo-1H-1,4-benzodiazepine-7-carbonitrile CAS Name: 5-(2-fluorophenyl)-3,3-dimethyl-2-oxo-1H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 5-(2-fluorophenyl)-3,3-dimethyl-2-oxo-1H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 5-(2-fluorophenyl)-2-keto-3,3-dimethyl-1H-1,4-benzodiazepine-7-carbonitrile Formula: C18H14FN3O MolecularWeight: 307.321663

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=C(C=C(C=C2)C#N)C(=N1)C3=CC=CC=C3F)C

Isomeric SMILES

CC1(C(=O)NC2=C(C=C(C=C2)C#N)C(=N1)C3=CC=CC=C3F)C

InChI

InChI=1S/C18H14FN3O/c1-18(2)17(23)21-15-8-7-11(10-20)9-13(15)16(22-18)12-5-3-4-6-14(12)19/h3-9H,1-2H3,(H,21,23)