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

Systemtic Name: 4-tert-butyl-N-[3-ethenyl-2-[(E)-2-iodanylprop-1-enyl]-1H-2,4-benzodiazepin-5-ylidene]benzamide Openeye Name: 4-tert-butyl-N-[2-[(E)-2-iodoprop-1-enyl]-3-vinyl-1H-2,4-benzodiazepin-5-ylidene]benzamide CAS Name: 4-tert-butyl-N-[3-ethenyl-2-[(E)-2-iodoprop-1-enyl]-1H-2,4-benzodiazepin-5-ylidene]benzamide IUPAC Name: 4-tert-butyl-N-[3-ethenyl-2-[(E)-2-iodoprop-1-enyl]-1H-2,4-benzodiazepin-5-ylidene]benzamide Traditional Name: 4-tert-butyl-N-[2-[(E)-2-iodoprop-1-enyl]-3-vinyl-1H-2,4-benzodiazepin-5-ylidene]benzamide Formula: C25H26IN3O MolecularWeight: 511.39791

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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)I

Isomeric SMILES

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

InChI

InChI=1S/C25H26IN3O/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?