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

Systemtic Name: N-[3-ethenyl-2-[(E)-2-iodanylprop-1-enyl]-1H-2,4-benzodiazepin-5-ylidene]-2-phenyl-ethanamide Openeye Name: N-[2-[(E)-2-iodoprop-1-enyl]-3-vinyl-1H-2,4-benzodiazepin-5-ylidene]-2-phenyl-acetamide CAS Name: N-[3-ethenyl-2-[(E)-2-iodoprop-1-enyl]-1H-2,4-benzodiazepin-5-ylidene]-2-phenylacetamide IUPAC Name: N-[3-ethenyl-2-[(E)-2-iodoprop-1-enyl]-1H-2,4-benzodiazepin-5-ylidene]-2-phenylacetamide Traditional Name: N-[2-[(E)-2-iodoprop-1-enyl]-3-vinyl-1H-2,4-benzodiazepin-5-ylidene]-2-phenyl-acetamide Formula: C22H20IN3O MolecularWeight: 469.31817

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CN1CC2=CC=CC=C2C(=NC(=O)CC3=CC=CC=C3)N=C1C=C)I

Isomeric SMILES

C/C(=C\N1CC2=CC=CC=C2C(=NC(=O)CC3=CC=CC=C3)N=C1C=C)/I

InChI

InChI=1S/C22H20IN3O/c1-3-20-24-22(25-21(27)13-17-9-5-4-6-10-17)19-12-8-7-11-18(19)15-26(20)14-16(2)23/h3-12,14H,1,13,15H2,2H3/b16-14+,25-22?