tert-butyl 3-(pyridin-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 3-(pyridin-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 3-(2-pyridylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3-[oxo-(2-pyridinylamino)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(pyridin-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-(2-pyridylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=CC=N3

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=CC=N3

InChI

InChI=1S/C20H23N3O3/c1-20(2,3)26-19(25)23-13-15-9-5-4-8-14(15)12-16(23)18(24)22-17-10-6-7-11-21-17/h4-11,16H,12-13H2,1-3H3,(H,21,22,24)