tert-butyl 4-[[5-[2-(1-adamantyl)ethanoylamino]-1-oxidanylidene-isoquinolin-2-yl]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[5-[2-(1-adamantyl)ethanoylamino]-1-oxidanylidene-isoquinolin-2-yl]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[5-[[2-(1-adamantyl)acetyl]amino]-1-oxo-2-isoquinolyl]methyl]piperidine-1-carboxylate CAS Name: 4-[[5-[[2-(1-adamantyl)-1-oxoethyl]amino]-1-oxo-2-isoquinolinyl]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[5-[[2-(1-adamantyl)acetyl]amino]-1-oxoisoquinolin-2-yl]methyl]piperidine-1-carboxylate Traditional Name: 4-[[5-[[2-(1-adamantyl)acetyl]amino]-1-keto-2-isoquinolyl]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C32H43N3O4 MolecularWeight: 533.70152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CN2C=CC3=C(C2=O)C=CC=C3NC(=O)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CN2C=CC3=C(C2=O)C=CC=C3NC(=O)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C32H43N3O4/c1-31(2,3)39-30(38)34-10-7-21(8-11-34)20-35-12-9-25-26(29(35)37)5-4-6-27(25)33-28(36)19-32-16-22-13-23(17-32)15-24(14-22)18-32/h4-6,9,12,21-24H,7-8,10-11,13-20H2,1-3H3,(H,33,36)