[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate CAS Name: 1-(2-pyrimidinyl)-2-piperidinecarboxylic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate Traditional Name: 1-(2-pyrimidyl)pipecolinic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCC(=O)N2CCC3=CC=CC=C3C2)C4=NC=CC=N4

Isomeric SMILES

C1CCN(C(C1)C(=O)OCC(=O)N2CCC3=CC=CC=C3C2)C4=NC=CC=N4

InChI

InChI=1S/C21H24N4O3/c26-19(24-13-9-16-6-1-2-7-17(16)14-24)15-28-20(27)18-8-3-4-12-25(18)21-22-10-5-11-23-21/h1-2,5-7,10-11,18H,3-4,8-9,12-15H2