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

Systemtic Name: [5-(4,4-dimethyl-2-oxidanylidene-piperidin-1-yl)pyridin-2-yl] 6-chloranyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: [5-(4,4-dimethyl-2-oxo-1-piperidyl)-2-pyridyl] 6-chloro-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 6-chloro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid [5-(4,4-dimethyl-2-oxo-1-piperidinyl)-2-pyridinyl] ester IUPAC Name: [5-(4,4-dimethyl-2-oxopiperidin-1-yl)pyridin-2-yl] 6-chloro-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 6-chloro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid [5-(2-keto-4,4-dimethyl-piperidino)-2-pyridyl] ester Formula: C22H24ClN3O3 MolecularWeight: 413.89726

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCN(C(=O)C1)C2=CN=C(C=C2)OC(=O)N3CCC4=C(C3)C=CC(=C4)Cl)C

Isomeric SMILES

CC1(CCN(C(=O)C1)C2=CN=C(C=C2)OC(=O)N3CCC4=C(C3)C=CC(=C4)Cl)C

InChI

InChI=1S/C22H24ClN3O3/c1-22(2)8-10-26(20(27)12-22)18-5-6-19(24-13-18)29-21(28)25-9-7-15-11-17(23)4-3-16(15)14-25/h3-6,11,13H,7-10,12,14H2,1-2H3