tert-butyl N-[(1Z)-3,3-dimethyl-1-(2-oxidanylidene-2-pyridin-3-yl-ethylidene)-2,4-dihydroisoquinolin-6-yl]carbamate

Systemtic Name: tert-butyl N-[(1Z)-3,3-dimethyl-1-(2-oxidanylidene-2-pyridin-3-yl-ethylidene)-2,4-dihydroisoquinolin-6-yl]carbamate Openeye Name: tert-butyl N-[(1Z)-3,3-dimethyl-1-[2-oxo-2-(3-pyridyl)ethylidene]-2,4-dihydroisoquinolin-6-yl]carbamate CAS Name: N-[(1Z)-3,3-dimethyl-1-[2-oxo-2-(3-pyridinyl)ethylidene]-2,4-dihydroisoquinolin-6-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(1Z)-3,3-dimethyl-1-(2-oxo-2-pyridin-3-ylethylidene)-2,4-dihydroisoquinolin-6-yl]carbamate Traditional Name: N-[(1Z)-1-[2-keto-2-(3-pyridyl)ethylidene]-3,3-dimethyl-2,4-dihydroisoquinolin-6-yl]carbamic acid tert-butyl ester Formula: C23H27N3O3 MolecularWeight: 393.47878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=CC(=C2)NC(=O)OC(C)(C)C)C(=CC(=O)C3=CN=CC=C3)N1)C

Isomeric SMILES

CC1(CC2=C(C=CC(=C2)NC(=O)OC(C)(C)C)/C(=C/C(=O)C3=CN=CC=C3)/N1)C

InChI

InChI=1S/C23H27N3O3/c1-22(2,3)29-21(28)25-17-8-9-18-16(11-17)13-23(4,5)26-19(18)12-20(27)15-7-6-10-24-14-15/h6-12,14,26H,13H2,1-5H3,(H,25,28)/b19-12-