2-(1-adamantyl)-N-[6-methyl-1-oxidanylidene-2-[(2R)-1-oxidanylpropan-2-yl]isoquinolin-5-yl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[6-methyl-1-oxidanylidene-2-[(2R)-1-oxidanylpropan-2-yl]isoquinolin-5-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[2-[(1R)-2-hydroxy-1-methyl-ethyl]-6-methyl-1-oxo-5-isoquinolyl]acetamide CAS Name: 2-(1-adamantyl)-N-[2-[(2R)-1-hydroxypropan-2-yl]-6-methyl-1-oxo-5-isoquinolinyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[2-[(2R)-1-hydroxypropan-2-yl]-6-methyl-1-oxoisoquinolin-5-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[2-[(1R)-2-hydroxy-1-methyl-ethyl]-1-keto-6-methyl-5-isoquinolyl]acetamide Formula: C25H32N2O3 MolecularWeight: 408.53318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=O)N(C=C2)C(C)CO)NC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=O)N(C=C2)[C@H](C)CO)NC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H32N2O3/c1-15-3-4-21-20(5-6-27(24(21)30)16(2)14-28)23(15)26-22(29)13-25-10-17-7-18(11-25)9-19(8-17)12-25/h3-6,16-19,28H,7-14H2,1-2H3,(H,26,29)/t16-,17?,18?,19?,25?/m1/s1