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

Systemtic Name: [5-(4,4-dimethyl-2-oxidanylidene-piperidin-1-yl)pyridin-2-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: [5-(4,4-dimethyl-2-oxo-1-piperidyl)-2-pyridyl] 3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 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] 3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3,4-dihydro-1H-isoquinoline-2-carboxylic acid [5-(2-keto-4,4-dimethyl-piperidino)-2-pyridyl] ester Formula: C22H25N3O3 MolecularWeight: 379.4522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCN(C(=O)C1)C2=CN=C(C=C2)OC(=O)N3CCC4=CC=CC=C4C3)C

Isomeric SMILES

CC1(CCN(C(=O)C1)C2=CN=C(C=C2)OC(=O)N3CCC4=CC=CC=C4C3)C

InChI

InChI=1S/C22H25N3O3/c1-22(2)10-12-25(20(26)13-22)18-7-8-19(23-14-18)28-21(27)24-11-9-16-5-3-4-6-17(16)15-24/h3-8,14H,9-13,15H2,1-2H3