dimethyl (2Z)-2-[(7-chloranyl-5-phenyl-3H-1,4-benzodiazepin-2-yl)hydrazinylidene]pentanedioate

Systemtic Name: dimethyl (2Z)-2-[(7-chloranyl-5-phenyl-3H-1,4-benzodiazepin-2-yl)hydrazinylidene]pentanedioate Openeye Name: dimethyl (2Z)-2-[(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)hydrazono]pentanedioate CAS Name: (2Z)-2-[(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)hydrazinylidene]pentanedioic acid dimethyl ester IUPAC Name: dimethyl (2Z)-2-[(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)hydrazinylidene]pentanedioate Traditional Name: (2Z)-2-[(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)hydrazono]glutaric acid dimethyl ester Formula: C22H21ClN4O4 MolecularWeight: 440.87954

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=NNC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)CC/C(=N/NC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CC=C3)/C(=O)OC

InChI

InChI=1S/C22H21ClN4O4/c1-30-20(28)11-10-18(22(29)31-2)26-27-19-13-24-21(14-6-4-3-5-7-14)16-12-15(23)8-9-17(16)25-19/h3-9,12H,10-11,13H2,1-2H3,(H,25,27)/b26-18-