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

Systemtic Name: [5-[4,4-dimethyl-2,6-bis(oxidanylidene)piperidin-1-yl]pyridin-2-yl] 7-bromanyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: [5-(4,4-dimethyl-2,6-dioxo-1-piperidyl)-2-pyridyl] 7-bromo-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 7-bromo-3,4-dihydro-1H-isoquinoline-2-carboxylic acid [5-(4,4-dimethyl-2,6-dioxo-1-piperidinyl)-2-pyridinyl] ester IUPAC Name: [5-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)pyridin-2-yl] 7-bromo-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 7-bromo-3,4-dihydro-1H-isoquinoline-2-carboxylic acid [5-(2,6-diketo-4,4-dimethyl-piperidino)-2-pyridyl] ester Formula: C22H22BrN3O4 MolecularWeight: 472.33178

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)N(C(=O)C1)C2=CN=C(C=C2)OC(=O)N3CCC4=C(C3)C=C(C=C4)Br)C

Isomeric SMILES

CC1(CC(=O)N(C(=O)C1)C2=CN=C(C=C2)OC(=O)N3CCC4=C(C3)C=C(C=C4)Br)C

InChI

InChI=1S/C22H22BrN3O4/c1-22(2)10-19(27)26(20(28)11-22)17-5-6-18(24-12-17)30-21(29)25-8-7-14-3-4-16(23)9-15(14)13-25/h3-6,9,12H,7-8,10-11,13H2,1-2H3