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

Systemtic Name: 3-[7-chloranyl-5-(2-chlorophenyl)-3-(2-cyanoethoxy)-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]propanenitrile Openeye Name: 3-[7-chloro-5-(2-chlorophenyl)-3-(2-cyanoethoxy)-2-oxo-3H-1,4-benzodiazepin-1-yl]propanenitrile CAS Name: 3-[7-chloro-5-(2-chlorophenyl)-3-(2-cyanoethoxy)-2-oxo-3H-1,4-benzodiazepin-1-yl]propanenitrile IUPAC Name: 3-[7-chloro-5-(2-chlorophenyl)-3-(2-cyanoethoxy)-2-oxo-3H-1,4-benzodiazepin-1-yl]propanenitrile Traditional Name: 3-[7-chloro-5-(2-chlorophenyl)-3-(2-cyanoethoxy)-2-keto-3H-1,4-benzodiazepin-1-yl]propionitrile Formula: C21H16Cl2N4O2 MolecularWeight: 427.28334

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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)OCCC#N)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H16Cl2N4O2/c22-14-7-8-18-16(13-14)19(15-5-1-2-6-17(15)23)26-20(29-12-4-10-25)21(28)27(18)11-3-9-24/h1-2,5-8,13,20H,3-4,11-12H2