(2R)-2-[5-[2-(1-adamantyl)ethanoylamino]-1-oxidanylidene-isoquinolin-2-yl]-3-oxidanyl-propanamide

Systemtic Name: (2R)-2-[5-[2-(1-adamantyl)ethanoylamino]-1-oxidanylidene-isoquinolin-2-yl]-3-oxidanyl-propanamide Openeye Name: (2R)-2-[5-[[2-(1-adamantyl)acetyl]amino]-1-oxo-2-isoquinolyl]-3-hydroxy-propanamide CAS Name: (2R)-2-[5-[[2-(1-adamantyl)-1-oxoethyl]amino]-1-oxo-2-isoquinolinyl]-3-hydroxypropanamide IUPAC Name: (2R)-2-[5-[[2-(1-adamantyl)acetyl]amino]-1-oxoisoquinolin-2-yl]-3-hydroxypropanamide Traditional Name: (2R)-2-[5-[[2-(1-adamantyl)acetyl]amino]-1-keto-2-isoquinolyl]-3-hydroxy-propionamide Formula: C24H29N3O4 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=CC=CC5=C4C=CN(C5=O)C(CO)C(=O)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=CC=CC5=C4C=CN(C5=O)[C@H](CO)C(=O)N

InChI

InChI=1S/C24H29N3O4/c25-22(30)20(13-28)27-5-4-17-18(23(27)31)2-1-3-19(17)26-21(29)12-24-9-14-6-15(10-24)8-16(7-14)11-24/h1-5,14-16,20,28H,6-13H2,(H2,25,30)(H,26,29)/t14?,15?,16?,20-,24?/m1/s1