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

Systemtic Name: N-[3-ethenyl-2-[(E)-2-iodanylprop-1-enyl]-1H-2,4-benzodiazepin-5-ylidene]-3-methyl-butanamide Openeye Name: N-[2-[(E)-2-iodoprop-1-enyl]-3-vinyl-1H-2,4-benzodiazepin-5-ylidene]-3-methyl-butanamide CAS Name: N-[3-ethenyl-2-[(E)-2-iodoprop-1-enyl]-1H-2,4-benzodiazepin-5-ylidene]-3-methylbutanamide IUPAC Name: N-[3-ethenyl-2-[(E)-2-iodoprop-1-enyl]-1H-2,4-benzodiazepin-5-ylidene]-3-methylbutanamide Traditional Name: N-[2-[(E)-2-iodoprop-1-enyl]-3-vinyl-1H-2,4-benzodiazepin-5-ylidene]-3-methyl-butyramide Formula: C19H22IN3O MolecularWeight: 435.30195

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22IN3O/c1-5-17-21-19(22-18(24)10-13(2)3)16-9-7-6-8-15(16)12-23(17)11-14(4)20/h5-9,11,13H,1,10,12H2,2-4H3/b14-11+,22-19?