tert-butyl 4-[2-[1-oxidanylidene-7-(3-oxidanylpiperidin-1-yl)-2H-isoquinolin-3-yl]phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[1-oxidanylidene-7-(3-oxidanylpiperidin-1-yl)-2H-isoquinolin-3-yl]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[7-(3-hydroxy-1-piperidyl)-1-oxo-2H-isoquinolin-3-yl]phenyl]piperazine-1-carboxylate CAS Name: 4-[2-[7-(3-hydroxy-1-piperidinyl)-1-oxo-2H-isoquinolin-3-yl]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[7-(3-hydroxypiperidin-1-yl)-1-oxo-2H-isoquinolin-3-yl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[2-[7-(3-hydroxypiperidino)-1-keto-2H-isoquinolin-3-yl]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C29H36N4O4 MolecularWeight: 504.62054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC=C2C3=CC4=C(C=C(C=C4)N5CCCC(C5)O)C(=O)N3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC=C2C3=CC4=C(C=C(C=C4)N5CCCC(C5)O)C(=O)N3

InChI

InChI=1S/C29H36N4O4/c1-29(2,3)37-28(36)32-15-13-31(14-16-32)26-9-5-4-8-23(26)25-17-20-10-11-21(18-24(20)27(35)30-25)33-12-6-7-22(34)19-33/h4-5,8-11,17-18,22,34H,6-7,12-16,19H2,1-3H3,(H,30,35)