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

Systemtic Name: tert-butyl N-[[6-azanyl-4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[(6-amino-4-butoxy-2-isobutyl-1-oxo-3-isoquinolyl)methyl]carbamate CAS Name: N-[[6-amino-4-butoxy-2-(2-methylpropyl)-1-oxo-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[6-amino-4-butoxy-2-(2-methylpropyl)-1-oxoisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[(6-amino-4-butoxy-2-isobutyl-1-keto-3-isoquinolyl)methyl]carbamic acid tert-butyl ester Formula: C23H35N3O4 MolecularWeight: 417.5417

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H35N3O4/c1-7-8-11-29-20-18-12-16(24)9-10-17(18)21(27)26(14-15(2)3)19(20)13-25-22(28)30-23(4,5)6/h9-10,12,15H,7-8,11,13-14,24H2,1-6H3,(H,25,28)