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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N=C2C3=CC=CC=C3CN(C(=N2)C=C)C=C(C)I

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N=C2C3=CC=CC=C3CN(C(=N2)C=C)/C=C(\C)/I

InChI

InChI=1S/C22H20IN3O/c1-4-20-24-21(25-22(27)17-11-9-15(2)10-12-17)19-8-6-5-7-18(19)14-26(20)13-16(3)23/h4-13H,1,14H2,2-3H3/b16-13+,25-21?