tert-butyl 4-(2-cyclohexyl-1-oxidanylidene-isoquinolin-7-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(2-cyclohexyl-1-oxidanylidene-isoquinolin-7-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(2-cyclohexyl-1-oxo-7-isoquinolyl)piperazine-1-carboxylate CAS Name: 4-(2-cyclohexyl-1-oxo-7-isoquinolinyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-cyclohexyl-1-oxoisoquinolin-7-yl)piperazine-1-carboxylate Traditional Name: 4-(2-cyclohexyl-1-keto-7-isoquinolyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C24H33N3O3 MolecularWeight: 411.53712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC3=C(C=C2)C=CN(C3=O)C4CCCCC4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC3=C(C=C2)C=CN(C3=O)C4CCCCC4

InChI

InChI=1S/C24H33N3O3/c1-24(2,3)30-23(29)26-15-13-25(14-16-26)20-10-9-18-11-12-27(22(28)21(18)17-20)19-7-5-4-6-8-19/h9-12,17,19H,4-8,13-16H2,1-3H3