3,5-dimethoxy-N-[3-methyl-1-oxidanylidene-1-[[3-(2-pyridin-2-ylethynyl)phenyl]amino]butan-2-yl]benzamide

Systemtic Name: 3,5-dimethoxy-N-[3-methyl-1-oxidanylidene-1-[[3-(2-pyridin-2-ylethynyl)phenyl]amino]butan-2-yl]benzamide Openeye Name: 3,5-dimethoxy-N-[2-methyl-1-[[3-[2-(2-pyridyl)ethynyl]phenyl]carbamoyl]propyl]benzamide CAS Name: 3,5-dimethoxy-N-[3-methyl-1-oxo-1-[3-[2-(2-pyridinyl)ethynyl]anilino]butan-2-yl]benzamide IUPAC Name: 3,5-dimethoxy-N-[3-methyl-1-oxo-1-[3-(2-pyridin-2-ylethynyl)anilino]butan-2-yl]benzamide Traditional Name: 3,5-dimethoxy-N-[2-methyl-1-[[3-[2-(2-pyridyl)ethynyl]phenyl]carbamoyl]propyl]benzamide Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=CC(=C1)C#CC2=CC=CC=N2)NC(=O)C3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CC(C)C(C(=O)NC1=CC=CC(=C1)C#CC2=CC=CC=N2)NC(=O)C3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C27H27N3O4/c1-18(2)25(30-26(31)20-15-23(33-3)17-24(16-20)34-4)27(32)29-22-10-7-8-19(14-22)11-12-21-9-5-6-13-28-21/h5-10,13-18,25H,1-4H3,(H,29,32)(H,30,31)