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

Systemtic Name: 3-(7-chloranyl-3-oxidanyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)propanenitrile Openeye Name: 3-(7-chloro-3-hydroxy-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)propanenitrile CAS Name: 3-(7-chloro-3-hydroxy-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)propanenitrile IUPAC Name: 3-(7-chloro-3-hydroxy-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)propanenitrile Traditional Name: 3-(7-chloro-3-hydroxy-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl)propionitrile Formula: C18H14ClN3O2 MolecularWeight: 339.77566

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClN3O2/c19-13-7-8-15-14(11-13)16(12-5-2-1-3-6-12)21-17(23)18(24)22(15)10-4-9-20/h1-3,5-8,11,17,23H,4,10H2