[5-[4-ethyl-2,6-bis(oxidanylidene)piperazin-1-yl]pyridin-2-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: [5-[4-ethyl-2,6-bis(oxidanylidene)piperazin-1-yl]pyridin-2-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: [5-(4-ethyl-2,6-dioxo-piperazin-1-yl)-2-pyridyl] 3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3,4-dihydro-1H-isoquinoline-2-carboxylic acid [5-(4-ethyl-2,6-dioxo-1-piperazinyl)-2-pyridinyl] ester IUPAC Name: [5-(4-ethyl-2,6-dioxopiperazin-1-yl)pyridin-2-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3,4-dihydro-1H-isoquinoline-2-carboxylic acid [5-(4-ethyl-2,6-diketo-piperazino)-2-pyridyl] ester Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(=O)N(C(=O)C1)C2=CN=C(C=C2)OC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCN1CC(=O)N(C(=O)C1)C2=CN=C(C=C2)OC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H22N4O4/c1-2-23-13-19(26)25(20(27)14-23)17-7-8-18(22-11-17)29-21(28)24-10-9-15-5-3-4-6-16(15)12-24/h3-8,11H,2,9-10,12-14H2,1H3