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

Systemtic Name: [5-[4-methyl-2,6-bis(oxidanylidene)piperazin-1-yl]pyridin-2-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: [5-(4-methyl-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-methyl-2,6-dioxo-1-piperazinyl)-2-pyridinyl] ester IUPAC Name: [5-(4-methyl-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-(2,6-diketo-4-methyl-piperazino)-2-pyridyl] ester Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(=O)N(C(=O)C1)C2=CN=C(C=C2)OC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CN1CC(=O)N(C(=O)C1)C2=CN=C(C=C2)OC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C20H20N4O4/c1-22-12-18(25)24(19(26)13-22)16-6-7-17(21-10-16)28-20(27)23-9-8-14-4-2-3-5-15(14)11-23/h2-7,10H,8-9,11-13H2,1H3