(3Z)-4-bromanyl-2-ethyl-3-[(9-fluoranyl-5-phenyl-3H-1,4-benzodiazepin-2-yl)hydrazinylidene]butanoic acid

Systemtic Name: (3Z)-4-bromanyl-2-ethyl-3-[(9-fluoranyl-5-phenyl-3H-1,4-benzodiazepin-2-yl)hydrazinylidene]butanoic acid Openeye Name: (3Z)-4-bromo-2-ethyl-3-[(9-fluoro-5-phenyl-3H-1,4-benzodiazepin-2-yl)hydrazono]butanoic acid CAS Name: (3Z)-4-bromo-2-ethyl-3-[(9-fluoro-5-phenyl-3H-1,4-benzodiazepin-2-yl)hydrazinylidene]butanoic acid IUPAC Name: (3Z)-4-bromo-2-ethyl-3-[(9-fluoro-5-phenyl-3H-1,4-benzodiazepin-2-yl)hydrazinylidene]butanoic acid Traditional Name: (3Z)-4-bromo-2-ethyl-3-[(9-fluoro-5-phenyl-3H-1,4-benzodiazepin-2-yl)hydrazono]butyric acid Formula: C21H20BrFN4O2 MolecularWeight: 459.311503

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=NNC1=NC2=C(C=CC=C2F)C(=NC1)C3=CC=CC=C3)CBr)C(=O)O

Isomeric SMILES

CCC(/C(=N/NC1=NC2=C(C=CC=C2F)C(=NC1)C3=CC=CC=C3)/CBr)C(=O)O

InChI

InChI=1S/C21H20BrFN4O2/c1-2-14(21(28)29)17(11-22)26-27-18-12-24-19(13-7-4-3-5-8-13)15-9-6-10-16(23)20(15)25-18/h3-10,14H,2,11-12H2,1H3,(H,25,27)(H,28,29)/b26-17+