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

Systemtic Name: 2-(1-adamantyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxidanylidene-isoquinolin-5-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[2-[(5-methylisoxazol-3-yl)methyl]-1-oxo-5-isoquinolyl]acetamide CAS Name: 2-(1-adamantyl)-N-[2-[(5-methyl-3-isoxazolyl)methyl]-1-oxo-5-isoquinolinyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxoisoquinolin-5-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[1-keto-2-[(5-methylisoxazol-3-yl)methyl]-5-isoquinolyl]acetamide Formula: C26H29N3O3 MolecularWeight: 431.52676

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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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O3/c1-16-7-20(28-32-16)15-29-6-5-21-22(25(29)31)3-2-4-23(21)27-24(30)14-26-11-17-8-18(12-26)10-19(9-17)13-26/h2-7,17-19H,8-15H2,1H3,(H,27,30)