N-[2-[(E)-2-bromanylprop-1-enyl]-3-ethenyl-1H-2,4-benzodiazepin-5-ylidene]-3-fluoranyl-benzamide

Systemtic Name: N-[2-[(E)-2-bromanylprop-1-enyl]-3-ethenyl-1H-2,4-benzodiazepin-5-ylidene]-3-fluoranyl-benzamide Openeye Name: N-[2-[(E)-2-bromoprop-1-enyl]-3-vinyl-1H-2,4-benzodiazepin-5-ylidene]-3-fluoro-benzamide CAS Name: N-[2-[(E)-2-bromoprop-1-enyl]-3-ethenyl-1H-2,4-benzodiazepin-5-ylidene]-3-fluorobenzamide IUPAC Name: N-[2-[(E)-2-bromoprop-1-enyl]-3-ethenyl-1H-2,4-benzodiazepin-5-ylidene]-3-fluorobenzamide Traditional Name: N-[2-[(E)-2-bromoprop-1-enyl]-3-vinyl-1H-2,4-benzodiazepin-5-ylidene]-3-fluoro-benzamide Formula: C21H17BrFN3O MolecularWeight: 426.281583

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CN1CC2=CC=CC=C2C(=NC(=O)C3=CC(=CC=C3)F)N=C1C=C)Br

Isomeric SMILES

C/C(=C\N1CC2=CC=CC=C2C(=NC(=O)C3=CC(=CC=C3)F)N=C1C=C)/Br

InChI

InChI=1S/C21H17BrFN3O/c1-3-19-24-20(25-21(27)15-8-6-9-17(23)11-15)18-10-5-4-7-16(18)13-26(19)12-14(2)22/h3-12H,1,13H2,2H3/b14-12+,25-20?