2-(3,5-dimethyl-1-adamantyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxidanylidene-isoquinolin-5-yl]ethanamide

Systemtic Name: 2-(3,5-dimethyl-1-adamantyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxidanylidene-isoquinolin-5-yl]ethanamide Openeye Name: 2-(3,5-dimethyl-1-adamantyl)-N-[2-[(5-methylisoxazol-3-yl)methyl]-1-oxo-5-isoquinolyl]acetamide CAS Name: 2-(3,5-dimethyl-1-adamantyl)-N-[2-[(5-methyl-3-isoxazolyl)methyl]-1-oxo-5-isoquinolinyl]acetamide IUPAC Name: 2-(3,5-dimethyl-1-adamantyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxoisoquinolin-5-yl]acetamide Traditional Name: 2-(3,5-dimethyl-1-adamantyl)-N-[1-keto-2-[(5-methylisoxazol-3-yl)methyl]-5-isoquinolyl]acetamide Formula: C28H33N3O3 MolecularWeight: 459.57992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN2C=CC3=C(C2=O)C=CC=C3NC(=O)CC45CC6CC(C4)(CC(C6)(C5)C)C

Isomeric SMILES

CC1=CC(=NO1)CN2C=CC3=C(C2=O)C=CC=C3NC(=O)CC45CC6CC(C4)(CC(C6)(C5)C)C

InChI

InChI=1S/C28H33N3O3/c1-18-9-20(30-34-18)14-31-8-7-21-22(25(31)33)5-4-6-23(21)29-24(32)13-28-12-19-10-26(2,16-28)15-27(3,11-19)17-28/h4-9,19H,10-17H2,1-3H3,(H,29,32)