tert-butyl N-[4-[3-(dimethylcarbamoyl)-1-oxidanylidene-7-(pyridin-2-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinolin-2-yl]phenyl]carbamate

Systemtic Name: tert-butyl N-[4-[3-(dimethylcarbamoyl)-1-oxidanylidene-7-(pyridin-2-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinolin-2-yl]phenyl]carbamate Openeye Name: tert-butyl N-[4-[3-(dimethylcarbamoyl)-1-oxo-7-(2-pyridylmethoxy)-4-(3,4,5-trimethoxyphenyl)-2-isoquinolyl]phenyl]carbamate CAS Name: N-[4-[3-[dimethylamino(oxo)methyl]-1-oxo-7-(2-pyridinylmethoxy)-4-(3,4,5-trimethoxyphenyl)-2-isoquinolinyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[3-(dimethylcarbamoyl)-1-oxo-7-(pyridin-2-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinolin-2-yl]phenyl]carbamate Traditional Name: N-[4-[3-(dimethylcarbamoyl)-1-keto-7-(2-pyridylmethoxy)-4-(3,4,5-trimethoxyphenyl)-2-isoquinolyl]phenyl]carbamic acid tert-butyl ester Formula: C38H40N4O8 MolecularWeight: 680.7462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)N2C(=C(C3=C(C2=O)C=C(C=C3)OCC4=CC=CC=N4)C5=CC(=C(C(=C5)OC)OC)OC)C(=O)N(C)C

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)N2C(=C(C3=C(C2=O)C=C(C=C3)OCC4=CC=CC=N4)C5=CC(=C(C(=C5)OC)OC)OC)C(=O)N(C)C

InChI

InChI=1S/C38H40N4O8/c1-38(2,3)50-37(45)40-24-12-14-26(15-13-24)42-33(36(44)41(4)5)32(23-19-30(46-6)34(48-8)31(20-23)47-7)28-17-16-27(21-29(28)35(42)43)49-22-25-11-9-10-18-39-25/h9-21H,22H2,1-8H3,(H,40,45)