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

Systemtic Name: tert-butyl 4-[1-oxidanylidene-2-(pyridin-2-ylmethyl)-3,4-dihydroisoquinolin-7-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-oxo-2-(2-pyridylmethyl)-3,4-dihydroisoquinolin-7-yl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-(2-pyridinylmethyl)-3,4-dihydroisoquinolin-7-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-oxo-2-(pyridin-2-ylmethyl)-3,4-dihydroisoquinolin-7-yl]piperazine-1-carboxylate Traditional Name: 4-[1-keto-2-(2-pyridylmethyl)-3,4-dihydroisoquinolin-7-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C24H30N4O3 MolecularWeight: 422.52

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC3=C(CCN(C3=O)CC4=CC=CC=N4)C=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC3=C(CCN(C3=O)CC4=CC=CC=N4)C=C2

InChI

InChI=1S/C24H30N4O3/c1-24(2,3)31-23(30)27-14-12-26(13-15-27)20-8-7-18-9-11-28(22(29)21(18)16-20)17-19-6-4-5-10-25-19/h4-8,10,16H,9,11-15,17H2,1-3H3