tert-butyl N-[(4-butoxy-6-chloranyl-1-oxidanylidene-2-propyl-isoquinolin-3-yl)methyl]carbamate

Systemtic Name: tert-butyl N-[(4-butoxy-6-chloranyl-1-oxidanylidene-2-propyl-isoquinolin-3-yl)methyl]carbamate Openeye Name: tert-butyl N-[(4-butoxy-6-chloro-1-oxo-2-propyl-3-isoquinolyl)methyl]carbamate CAS Name: N-[(4-butoxy-6-chloro-1-oxo-2-propyl-3-isoquinolinyl)methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(4-butoxy-6-chloro-1-oxo-2-propylisoquinolin-3-yl)methyl]carbamate Traditional Name: N-[(4-butoxy-6-chloro-1-keto-2-propyl-3-isoquinolyl)methyl]carbamic acid tert-butyl ester Formula: C22H31ClN2O4 MolecularWeight: 422.94554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)Cl)CCC)CNC(=O)OC(C)(C)C

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)Cl)CCC)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C22H31ClN2O4/c1-6-8-12-28-19-17-13-15(23)9-10-16(17)20(26)25(11-7-2)18(19)14-24-21(27)29-22(3,4)5/h9-10,13H,6-8,11-12,14H2,1-5H3,(H,24,27)