methyl (2Z)-2-[[7-bromanyl-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]hydrazinylidene]-4-methoxy-butanoate

Systemtic Name: methyl (2Z)-2-[[7-bromanyl-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]hydrazinylidene]-4-methoxy-butanoate Openeye Name: methyl (2Z)-2-[[7-bromo-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]hydrazono]-4-methoxy-butanoate CAS Name: (2Z)-2-[[7-bromo-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]hydrazinylidene]-4-methoxybutanoic acid methyl ester IUPAC Name: methyl (2Z)-2-[[7-bromo-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]hydrazinylidene]-4-methoxybutanoate Traditional Name: (2Z)-2-[[7-bromo-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]hydrazono]-4-methoxy-butyric acid methyl ester Formula: C21H20BrClN4O3 MolecularWeight: 491.7655

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Descriptors Computed from Structure

Canonical SMILES:

COCCC(=NNC1=NC2=C(C=C(C=C2)Br)C(=NC1)C3=CC=CC=C3Cl)C(=O)OC

Isomeric SMILES

COCC/C(=N/NC1=NC2=C(C=C(C=C2)Br)C(=NC1)C3=CC=CC=C3Cl)/C(=O)OC

InChI

InChI=1S/C21H20BrClN4O3/c1-29-10-9-18(21(28)30-2)26-27-19-12-24-20(14-5-3-4-6-16(14)23)15-11-13(22)7-8-17(15)25-19/h3-8,11H,9-10,12H2,1-2H3,(H,25,27)/b26-18-