(2S)-2-[5-[2-(1-adamantyl)ethanoylamino]-1-oxidanylidene-isoquinolin-2-yl]-3-phenyl-propanamide

Systemtic Name: (2S)-2-[5-[2-(1-adamantyl)ethanoylamino]-1-oxidanylidene-isoquinolin-2-yl]-3-phenyl-propanamide Openeye Name: (2S)-2-[5-[[2-(1-adamantyl)acetyl]amino]-1-oxo-2-isoquinolyl]-3-phenyl-propanamide CAS Name: (2S)-2-[5-[[2-(1-adamantyl)-1-oxoethyl]amino]-1-oxo-2-isoquinolinyl]-3-phenylpropanamide IUPAC Name: (2S)-2-[5-[[2-(1-adamantyl)acetyl]amino]-1-oxoisoquinolin-2-yl]-3-phenylpropanamide Traditional Name: (2S)-2-[5-[[2-(1-adamantyl)acetyl]amino]-1-keto-2-isoquinolyl]-3-phenyl-propionamide Formula: C30H33N3O3 MolecularWeight: 483.60132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=CC=CC5=C4C=CN(C5=O)C(CC6=CC=CC=C6)C(=O)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=CC=CC5=C4C=CN(C5=O)[C@@H](CC6=CC=CC=C6)C(=O)N

InChI

InChI=1S/C30H33N3O3/c31-28(35)26(14-19-5-2-1-3-6-19)33-10-9-23-24(29(33)36)7-4-8-25(23)32-27(34)18-30-15-20-11-21(16-30)13-22(12-20)17-30/h1-10,20-22,26H,11-18H2,(H2,31,35)(H,32,34)/t20?,21?,22?,26-,30?/m0/s1