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

Systemtic Name: N-[3-ethenyl-2-[(E)-2-iodanylprop-1-enyl]-1H-2,4-benzodiazepin-5-ylidene]-4-methoxy-benzamide Openeye Name: N-[2-[(E)-2-iodoprop-1-enyl]-3-vinyl-1H-2,4-benzodiazepin-5-ylidene]-4-methoxy-benzamide CAS Name: N-[3-ethenyl-2-[(E)-2-iodoprop-1-enyl]-1H-2,4-benzodiazepin-5-ylidene]-4-methoxybenzamide IUPAC Name: N-[3-ethenyl-2-[(E)-2-iodoprop-1-enyl]-1H-2,4-benzodiazepin-5-ylidene]-4-methoxybenzamide Traditional Name: N-[2-[(E)-2-iodoprop-1-enyl]-3-vinyl-1H-2,4-benzodiazepin-5-ylidene]-4-methoxy-benzamide Formula: C22H20IN3O2 MolecularWeight: 485.31757

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20IN3O2/c1-4-20-24-21(25-22(27)16-9-11-18(28-3)12-10-16)19-8-6-5-7-17(19)14-26(20)13-15(2)23/h4-13H,1,14H2,2-3H3/b15-13+,25-21?