methyl (2E)-2-[(6-bromanyl-5-phenyl-3H-1,4-benzodiazepin-2-yl)hydrazinylidene]-4-pyrrolidin-1-yl-butanoate

Systemtic Name: methyl (2E)-2-[(6-bromanyl-5-phenyl-3H-1,4-benzodiazepin-2-yl)hydrazinylidene]-4-pyrrolidin-1-yl-butanoate Openeye Name: methyl (2E)-2-[(6-bromo-5-phenyl-3H-1,4-benzodiazepin-2-yl)hydrazono]-4-pyrrolidin-1-yl-butanoate CAS Name: (2E)-2-[(6-bromo-5-phenyl-3H-1,4-benzodiazepin-2-yl)hydrazinylidene]-4-(1-pyrrolidinyl)butanoic acid methyl ester IUPAC Name: methyl (2E)-2-[(6-bromo-5-phenyl-3H-1,4-benzodiazepin-2-yl)hydrazinylidene]-4-pyrrolidin-1-ylbutanoate Traditional Name: (2E)-2-[(6-bromo-5-phenyl-3H-1,4-benzodiazepin-2-yl)hydrazono]-4-pyrrolidino-butyric acid methyl ester Formula: C24H26BrN5O2 MolecularWeight: 496.39954

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=NNC1=NC2=C(C(=CC=C2)Br)C(=NC1)C3=CC=CC=C3)CCN4CCCC4

Isomeric SMILES

COC(=O)/C(=N/NC1=NC2=C(C(=CC=C2)Br)C(=NC1)C3=CC=CC=C3)/CCN4CCCC4

InChI

InChI=1S/C24H26BrN5O2/c1-32-24(31)20(12-15-30-13-5-6-14-30)28-29-21-16-26-23(17-8-3-2-4-9-17)22-18(25)10-7-11-19(22)27-21/h2-4,7-11H,5-6,12-16H2,1H3,(H,27,29)/b28-20+