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

Systemtic Name: N-[3-ethenyl-2-[(E)-2-iodanylprop-1-enyl]-1H-2,4-benzodiazepin-5-ylidene]-2-methyl-propanamide Openeye Name: N-[2-[(E)-2-iodoprop-1-enyl]-3-vinyl-1H-2,4-benzodiazepin-5-ylidene]-2-methyl-propanamide CAS Name: N-[3-ethenyl-2-[(E)-2-iodoprop-1-enyl]-1H-2,4-benzodiazepin-5-ylidene]-2-methylpropanamide IUPAC Name: N-[3-ethenyl-2-[(E)-2-iodoprop-1-enyl]-1H-2,4-benzodiazepin-5-ylidene]-2-methylpropanamide Traditional Name: N-[2-[(E)-2-iodoprop-1-enyl]-3-vinyl-1H-2,4-benzodiazepin-5-ylidene]-2-methyl-propionamide Formula: C18H20IN3O MolecularWeight: 421.27537

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N=C1C2=CC=CC=C2CN(C(=N1)C=C)C=C(C)I

Isomeric SMILES

CC(C)C(=O)N=C1C2=CC=CC=C2CN(C(=N1)C=C)/C=C(\C)/I

InChI

InChI=1S/C18H20IN3O/c1-5-16-20-17(21-18(23)12(2)3)15-9-7-6-8-14(15)11-22(16)10-13(4)19/h5-10,12H,1,11H2,2-4H3/b13-10+,21-17?