tert-butyl 4-[2-(oxan-2-ylmethyl)-1-oxidanylidene-3,4-dihydroisoquinolin-7-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(oxan-2-ylmethyl)-1-oxidanylidene-3,4-dihydroisoquinolin-7-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-oxo-2-(tetrahydropyran-2-ylmethyl)-3,4-dihydroisoquinolin-7-yl]piperazine-1-carboxylate CAS Name: 4-[2-(2-oxanylmethyl)-1-oxo-3,4-dihydroisoquinolin-7-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(oxan-2-ylmethyl)-1-oxo-3,4-dihydroisoquinolin-7-yl]piperazine-1-carboxylate Traditional Name: 4-[1-keto-2-(tetrahydropyran-2-ylmethyl)-3,4-dihydroisoquinolin-7-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C24H35N3O4 MolecularWeight: 429.5524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC3=C(CCN(C3=O)CC4CCCCO4)C=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC3=C(CCN(C3=O)CC4CCCCO4)C=C2

InChI

InChI=1S/C24H35N3O4/c1-24(2,3)31-23(29)26-13-11-25(12-14-26)19-8-7-18-9-10-27(22(28)21(18)16-19)17-20-6-4-5-15-30-20/h7-8,16,20H,4-6,9-15,17H2,1-3H3