[5-[2,6-bis(oxidanylidene)-4-propan-2-yl-piperidin-1-yl]pyridin-2-yl] 7-chloranyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: [5-[2,6-bis(oxidanylidene)-4-propan-2-yl-piperidin-1-yl]pyridin-2-yl] 7-chloranyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: [5-(4-isopropyl-2,6-dioxo-1-piperidyl)-2-pyridyl] 7-chloro-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 7-chloro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid [5-(2,6-dioxo-4-propan-2-yl-1-piperidinyl)-2-pyridinyl] ester IUPAC Name: [5-(2,6-dioxo-4-propan-2-ylpiperidin-1-yl)pyridin-2-yl] 7-chloro-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 7-chloro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid [5-(4-isopropyl-2,6-diketo-piperidino)-2-pyridyl] ester Formula: C23H24ClN3O4 MolecularWeight: 441.90736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CC(=O)N(C(=O)C1)C2=CN=C(C=C2)OC(=O)N3CCC4=C(C3)C=C(C=C4)Cl

Isomeric SMILES

CC(C)C1CC(=O)N(C(=O)C1)C2=CN=C(C=C2)OC(=O)N3CCC4=C(C3)C=C(C=C4)Cl

InChI

InChI=1S/C23H24ClN3O4/c1-14(2)16-10-21(28)27(22(29)11-16)19-5-6-20(25-12-19)31-23(30)26-8-7-15-3-4-18(24)9-17(15)13-26/h3-6,9,12,14,16H,7-8,10-11,13H2,1-2H3