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

Systemtic Name: N-[2-[(E)-2-bromanylprop-1-enyl]-3-ethenyl-1H-2,4-benzodiazepin-5-ylidene]-4-tert-butyl-benzamide Openeye Name: N-[2-[(E)-2-bromoprop-1-enyl]-3-vinyl-1H-2,4-benzodiazepin-5-ylidene]-4-tert-butyl-benzamide CAS Name: N-[2-[(E)-2-bromoprop-1-enyl]-3-ethenyl-1H-2,4-benzodiazepin-5-ylidene]-4-tert-butylbenzamide IUPAC Name: N-[2-[(E)-2-bromoprop-1-enyl]-3-ethenyl-1H-2,4-benzodiazepin-5-ylidene]-4-tert-butylbenzamide Traditional Name: N-[2-[(E)-2-bromoprop-1-enyl]-3-vinyl-1H-2,4-benzodiazepin-5-ylidene]-4-tert-butyl-benzamide Formula: C25H26BrN3O MolecularWeight: 464.39744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26BrN3O/c1-6-22-27-23(21-10-8-7-9-19(21)16-29(22)15-17(2)26)28-24(30)18-11-13-20(14-12-18)25(3,4)5/h6-15H,1,16H2,2-5H3/b17-15+,28-23?