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

Systemtic Name: 3-cyclohexyl-N-[3-ethenyl-2-[(E)-2-iodanylprop-1-enyl]-1H-2,4-benzodiazepin-5-ylidene]propanamide Openeye Name: 3-cyclohexyl-N-[2-[(E)-2-iodoprop-1-enyl]-3-vinyl-1H-2,4-benzodiazepin-5-ylidene]propanamide CAS Name: 3-cyclohexyl-N-[3-ethenyl-2-[(E)-2-iodoprop-1-enyl]-1H-2,4-benzodiazepin-5-ylidene]propanamide IUPAC Name: 3-cyclohexyl-N-[3-ethenyl-2-[(E)-2-iodoprop-1-enyl]-1H-2,4-benzodiazepin-5-ylidene]propanamide Traditional Name: 3-cyclohexyl-N-[2-[(E)-2-iodoprop-1-enyl]-3-vinyl-1H-2,4-benzodiazepin-5-ylidene]propionamide Formula: C23H28IN3O MolecularWeight: 489.39239

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CN1CC2=CC=CC=C2C(=NC(=O)CCC3CCCCC3)N=C1C=C)I

Isomeric SMILES

C/C(=C\N1CC2=CC=CC=C2C(=NC(=O)CCC3CCCCC3)N=C1C=C)/I

InChI

InChI=1S/C23H28IN3O/c1-3-21-25-23(26-22(28)14-13-18-9-5-4-6-10-18)20-12-8-7-11-19(20)16-27(21)15-17(2)24/h3,7-8,11-12,15,18H,1,4-6,9-10,13-14,16H2,2H3/b17-15+,26-23?