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

Systemtic Name: 3-[7-chloranyl-3-(2-cyanoethoxy)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]propanenitrile Openeye Name: 3-[7-chloro-3-(2-cyanoethoxy)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]propanenitrile CAS Name: 3-[7-chloro-3-(2-cyanoethoxy)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]propanenitrile IUPAC Name: 3-[7-chloro-3-(2-cyanoethoxy)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]propanenitrile Traditional Name: 3-[7-chloro-3-(2-cyanoethoxy)-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl]propionitrile Formula: C21H17ClN4O2 MolecularWeight: 392.83828

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN4O2/c22-16-8-9-18-17(14-16)19(15-6-2-1-3-7-15)25-20(28-13-5-11-24)21(27)26(18)12-4-10-23/h1-3,6-9,14,20H,4-5,12-13H2