5-bromanyl-N-[2-[(E)-2-bromanylprop-1-enyl]-3-ethenyl-1H-2,4-benzodiazepin-5-ylidene]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[2-[(E)-2-bromanylprop-1-enyl]-3-ethenyl-1H-2,4-benzodiazepin-5-ylidene]furan-2-carboxamide Openeye Name: 5-bromo-N-[2-[(E)-2-bromoprop-1-enyl]-3-vinyl-1H-2,4-benzodiazepin-5-ylidene]furan-2-carboxamide CAS Name: 5-bromo-N-[2-[(E)-2-bromoprop-1-enyl]-3-ethenyl-1H-2,4-benzodiazepin-5-ylidene]-2-furancarboxamide IUPAC Name: 5-bromo-N-[2-[(E)-2-bromoprop-1-enyl]-3-ethenyl-1H-2,4-benzodiazepin-5-ylidene]furan-2-carboxamide Traditional Name: 5-bromo-N-[2-[(E)-2-bromoprop-1-enyl]-3-vinyl-1H-2,4-benzodiazepin-5-ylidene]-2-furamide Formula: C19H15Br2N3O2 MolecularWeight: 477.1493

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CN1CC2=CC=CC=C2C(=NC(=O)C3=CC=C(O3)Br)N=C1C=C)Br

Isomeric SMILES

C/C(=C\N1CC2=CC=CC=C2C(=NC(=O)C3=CC=C(O3)Br)N=C1C=C)/Br

InChI

InChI=1S/C19H15Br2N3O2/c1-3-17-22-18(23-19(25)15-8-9-16(21)26-15)14-7-5-4-6-13(14)11-24(17)10-12(2)20/h3-10H,1,11H2,2H3/b12-10+,23-18?