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

Systemtic Name: tert-butyl N-[[4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-6-pyridin-2-yl-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[4-butoxy-2-isobutyl-1-oxo-6-(2-pyridyl)-3-isoquinolyl]methyl]carbamate CAS Name: N-[[4-butoxy-2-(2-methylpropyl)-1-oxo-6-(2-pyridinyl)-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-butoxy-2-(2-methylpropyl)-1-oxo-6-pyridin-2-ylisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[4-butoxy-2-isobutyl-1-keto-6-(2-pyridyl)-3-isoquinolyl]methyl]carbamic acid tert-butyl ester Formula: C28H37N3O4 MolecularWeight: 479.61108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C3=CC=CC=N3)CC(C)C)CNC(=O)OC(C)(C)C

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C3=CC=CC=N3)CC(C)C)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C28H37N3O4/c1-7-8-15-34-25-22-16-20(23-11-9-10-14-29-23)12-13-21(22)26(32)31(18-19(2)3)24(25)17-30-27(33)35-28(4,5)6/h9-14,16,19H,7-8,15,17-18H2,1-6H3,(H,30,33)