N-[3-ethenyl-2-[(E)-2-iodanylprop-1-enyl]-1H-2,4-benzodiazepin-5-ylidene]-2-(2-fluoranylphenoxy)ethanamide

Systemtic Name: N-[3-ethenyl-2-[(E)-2-iodanylprop-1-enyl]-1H-2,4-benzodiazepin-5-ylidene]-2-(2-fluoranylphenoxy)ethanamide Openeye Name: 2-(2-fluorophenoxy)-N-[2-[(E)-2-iodoprop-1-enyl]-3-vinyl-1H-2,4-benzodiazepin-5-ylidene]acetamide CAS Name: N-[3-ethenyl-2-[(E)-2-iodoprop-1-enyl]-1H-2,4-benzodiazepin-5-ylidene]-2-(2-fluorophenoxy)acetamide IUPAC Name: N-[3-ethenyl-2-[(E)-2-iodoprop-1-enyl]-1H-2,4-benzodiazepin-5-ylidene]-2-(2-fluorophenoxy)acetamide Traditional Name: 2-(2-fluorophenoxy)-N-[2-[(E)-2-iodoprop-1-enyl]-3-vinyl-1H-2,4-benzodiazepin-5-ylidene]acetamide Formula: C22H19FIN3O2 MolecularWeight: 503.308033

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CN1CC2=CC=CC=C2C(=NC(=O)COC3=CC=CC=C3F)N=C1C=C)I

Isomeric SMILES

C/C(=C\N1CC2=CC=CC=C2C(=NC(=O)COC3=CC=CC=C3F)N=C1C=C)/I

InChI

InChI=1S/C22H19FIN3O2/c1-3-20-25-22(26-21(28)14-29-19-11-7-6-10-18(19)23)17-9-5-4-8-16(17)13-27(20)12-15(2)24/h3-12H,1,13-14H2,2H3/b15-12+,26-22?