methyl (2E)-2-[[8-bromanyl-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]hydrazinylidene]-5-pyrrolidin-1-yl-pentanoate

Systemtic Name: methyl (2E)-2-[[8-bromanyl-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]hydrazinylidene]-5-pyrrolidin-1-yl-pentanoate Openeye Name: methyl (2E)-2-[[8-bromo-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]hydrazono]-5-pyrrolidin-1-yl-pentanoate CAS Name: (2E)-2-[[8-bromo-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]hydrazinylidene]-5-(1-pyrrolidinyl)pentanoic acid methyl ester IUPAC Name: methyl (2E)-2-[[8-bromo-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]hydrazinylidene]-5-pyrrolidin-1-ylpentanoate Traditional Name: (2E)-2-[[8-bromo-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]hydrazono]-5-pyrrolidino-valeric acid methyl ester Formula: C25H27BrFN5O2 MolecularWeight: 528.416583

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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=C3F)CCCN4CCCC4

Isomeric SMILES

COC(=O)/C(=N/NC1=NC2=C(C=CC(=C2)Br)C(=NC1)C3=CC=CC=C3F)/CCCN4CCCC4

InChI

InChI=1S/C25H27BrFN5O2/c1-34-25(33)21(9-6-14-32-12-4-5-13-32)30-31-23-16-28-24(18-7-2-3-8-20(18)27)19-11-10-17(26)15-22(19)29-23/h2-3,7-8,10-11,15H,4-6,9,12-14,16H2,1H3,(H,29,31)/b30-21+