3-[7-chloranyl-5-(2-fluorophenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]propanenitrile

Systemtic Name: 3-[7-chloranyl-5-(2-fluorophenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]propanenitrile Openeye Name: 3-[7-chloro-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]propanenitrile CAS Name: 3-[7-chloro-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]propanenitrile IUPAC Name: 3-[7-chloro-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]propanenitrile Traditional Name: 3-[7-chloro-5-(2-fluorophenyl)-2-keto-3H-1,4-benzodiazepin-1-yl]propionitrile Formula: C18H13ClFN3O MolecularWeight: 341.766723

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CCC#N

Isomeric SMILES

C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CCC#N

InChI

InChI=1S/C18H13ClFN3O/c19-12-6-7-16-14(10-12)18(13-4-1-2-5-15(13)20)22-11-17(24)23(16)9-3-8-21/h1-2,4-7,10H,3,9,11H2