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

Systemtic Name: 3,4-dimethoxy-6-[1-(2-morpholin-4-ylcarbonyl-1,4-diazepan-1-yl)ethylideneamino]-2-phenyl-benzenecarbonitrile Openeye Name: 3,4-dimethoxy-6-[1-[2-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]ethylideneamino]-2-phenyl-benzonitrile CAS Name: 3,4-dimethoxy-6-[1-[2-[4-morpholinyl(oxo)methyl]-1,4-diazepan-1-yl]ethylideneamino]-2-phenylbenzonitrile IUPAC Name: 3,4-dimethoxy-6-[1-[2-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]ethylideneamino]-2-phenylbenzonitrile Traditional Name: 3,4-dimethoxy-6-[1-[2-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]ethylideneamino]-2-phenyl-benzonitrile Formula: C27H33N5O4 MolecularWeight: 491.58202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NC1=CC(=C(C(=C1C#N)C2=CC=CC=C2)OC)OC)N3CCCNCC3C(=O)N4CCOCC4

Isomeric SMILES

CC(=NC1=CC(=C(C(=C1C#N)C2=CC=CC=C2)OC)OC)N3CCCNCC3C(=O)N4CCOCC4

InChI

InChI=1S/C27H33N5O4/c1-19(32-11-7-10-29-18-23(32)27(33)31-12-14-36-15-13-31)30-22-16-24(34-2)26(35-3)25(21(22)17-28)20-8-5-4-6-9-20/h4-6,8-9,16,23,29H,7,10-15,18H2,1-3H3