2-iodanyl-3,4-dimethoxy-6-[1-(4-morpholin-4-ylcarbonyl-1,4-diazepan-1-yl)ethylideneamino]benzenecarbonitrile

Systemtic Name: 2-iodanyl-3,4-dimethoxy-6-[1-(4-morpholin-4-ylcarbonyl-1,4-diazepan-1-yl)ethylideneamino]benzenecarbonitrile Openeye Name: 2-iodo-3,4-dimethoxy-6-[1-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]ethylideneamino]benzonitrile CAS Name: 2-iodo-3,4-dimethoxy-6-[1-[4-[4-morpholinyl(oxo)methyl]-1,4-diazepan-1-yl]ethylideneamino]benzonitrile IUPAC Name: 2-iodo-3,4-dimethoxy-6-[1-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]ethylideneamino]benzonitrile Traditional Name: 2-iodo-3,4-dimethoxy-6-[1-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]ethylideneamino]benzonitrile Formula: C21H28IN5O4 MolecularWeight: 541.38259

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NC1=CC(=C(C(=C1C#N)I)OC)OC)N2CCCN(CC2)C(=O)N3CCOCC3

Isomeric SMILES

CC(=NC1=CC(=C(C(=C1C#N)I)OC)OC)N2CCCN(CC2)C(=O)N3CCOCC3

InChI

InChI=1S/C21H28IN5O4/c1-15(24-17-13-18(29-2)20(30-3)19(22)16(17)14-23)25-5-4-6-26(8-7-25)21(28)27-9-11-31-12-10-27/h13H,4-12H2,1-3H3