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

Systemtic Name: N-[3-ethenyl-2-[(E)-2-iodanylprop-1-enyl]-1H-2,4-benzodiazepin-5-ylidene]benzamide Openeye Name: N-[2-[(E)-2-iodoprop-1-enyl]-3-vinyl-1H-2,4-benzodiazepin-5-ylidene]benzamide CAS Name: N-[3-ethenyl-2-[(E)-2-iodoprop-1-enyl]-1H-2,4-benzodiazepin-5-ylidene]benzamide IUPAC Name: N-[3-ethenyl-2-[(E)-2-iodoprop-1-enyl]-1H-2,4-benzodiazepin-5-ylidene]benzamide Traditional Name: N-[2-[(E)-2-iodoprop-1-enyl]-3-vinyl-1H-2,4-benzodiazepin-5-ylidene]benzamide Formula: C21H18IN3O MolecularWeight: 455.29159

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18IN3O/c1-3-19-23-20(24-21(26)16-9-5-4-6-10-16)18-12-8-7-11-17(18)14-25(19)13-15(2)22/h3-13H,1,14H2,2H3/b15-13+,24-20?