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

Systemtic Name: (E)-N-[3-ethenyl-2-[(E)-2-iodanylprop-1-enyl]-1H-2,4-benzodiazepin-5-ylidene]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[2-[(E)-2-iodoprop-1-enyl]-3-vinyl-1H-2,4-benzodiazepin-5-ylidene]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[3-ethenyl-2-[(E)-2-iodoprop-1-enyl]-1H-2,4-benzodiazepin-5-ylidene]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[3-ethenyl-2-[(E)-2-iodoprop-1-enyl]-1H-2,4-benzodiazepin-5-ylidene]-3-phenylprop-2-enamide Traditional Name: (E)-N-[2-[(E)-2-iodoprop-1-enyl]-3-vinyl-1H-2,4-benzodiazepin-5-ylidene]-3-phenyl-acrylamide Formula: C23H20IN3O MolecularWeight: 481.32887

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20IN3O/c1-3-21-25-23(26-22(28)14-13-18-9-5-4-6-10-18)20-12-8-7-11-19(20)16-27(21)15-17(2)24/h3-15H,1,16H2,2H3/b14-13+,17-15+,26-23?