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

Systemtic Name: 3-[7-chloranyl-5-(2-fluorophenyl)-3-oxidanyl-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]propanenitrile Openeye Name: 3-[7-chloro-5-(2-fluorophenyl)-3-hydroxy-2-oxo-3H-1,4-benzodiazepin-1-yl]propanenitrile CAS Name: 3-[7-chloro-5-(2-fluorophenyl)-3-hydroxy-2-oxo-3H-1,4-benzodiazepin-1-yl]propanenitrile IUPAC Name: 3-[7-chloro-5-(2-fluorophenyl)-3-hydroxy-2-oxo-3H-1,4-benzodiazepin-1-yl]propanenitrile Traditional Name: 3-[7-chloro-5-(2-fluorophenyl)-3-hydroxy-2-keto-3H-1,4-benzodiazepin-1-yl]propionitrile Formula: C18H13ClFN3O2 MolecularWeight: 357.766123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC(C(=O)N(C3=C2C=C(C=C3)Cl)CCC#N)O)F

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC(C(=O)N(C3=C2C=C(C=C3)Cl)CCC#N)O)F

InChI

InChI=1S/C18H13ClFN3O2/c19-11-6-7-15-13(10-11)16(12-4-1-2-5-14(12)20)22-17(24)18(25)23(15)9-3-8-21/h1-2,4-7,10,17,24H,3,9H2