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

Systemtic Name: N-[3-ethenyl-2-[(E)-2-iodanylprop-1-enyl]-1H-2,4-benzodiazepin-5-ylidene]prop-2-enamide Openeye Name: N-[2-[(E)-2-iodoprop-1-enyl]-3-vinyl-1H-2,4-benzodiazepin-5-ylidene]prop-2-enamide CAS Name: N-[3-ethenyl-2-[(E)-2-iodoprop-1-enyl]-1H-2,4-benzodiazepin-5-ylidene]-2-propenamide IUPAC Name: N-[3-ethenyl-2-[(E)-2-iodoprop-1-enyl]-1H-2,4-benzodiazepin-5-ylidene]prop-2-enamide Traditional Name: N-[2-[(E)-2-iodoprop-1-enyl]-3-vinyl-1H-2,4-benzodiazepin-5-ylidene]acrylamide Formula: C17H16IN3O MolecularWeight: 405.23291

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16IN3O/c1-4-15-19-17(20-16(22)5-2)14-9-7-6-8-13(14)11-21(15)10-12(3)18/h4-10H,1-2,11H2,3H3/b12-10+,20-17?