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

Systemtic Name: [6-(2-azanyl-2-oxidanylidene-ethoxy)-4-butoxy-2-(cyclopropylmethyl)-1-oxidanylidene-isoquinolin-3-yl] N-tert-butyl-N-methyl-carbamate Openeye Name: [6-(2-amino-2-oxo-ethoxy)-4-butoxy-2-(cyclopropylmethyl)-1-oxo-3-isoquinolyl] N-tert-butyl-N-methyl-carbamate CAS Name: N-tert-butyl-N-methylcarbamic acid [6-(2-amino-2-oxoethoxy)-4-butoxy-2-(cyclopropylmethyl)-1-oxo-3-isoquinolinyl] ester IUPAC Name: [6-(2-amino-2-oxoethoxy)-4-butoxy-2-(cyclopropylmethyl)-1-oxoisoquinolin-3-yl] N-tert-butyl-N-methylcarbamate Traditional Name: N-tert-butyl-N-methyl-carbamic acid [6-(2-amino-2-keto-ethoxy)-4-butoxy-2-(cyclopropylmethyl)-1-keto-3-isoquinolyl] ester Formula: C25H35N3O6 MolecularWeight: 473.5619

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)OCC(=O)N)CC3CC3)OC(=O)N(C)C(C)(C)C

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)OCC(=O)N)CC3CC3)OC(=O)N(C)C(C)(C)C

InChI

InChI=1S/C25H35N3O6/c1-6-7-12-32-21-19-13-17(33-15-20(26)29)10-11-18(19)22(30)28(14-16-8-9-16)23(21)34-24(31)27(5)25(2,3)4/h10-11,13,16H,6-9,12,14-15H2,1-5H3,(H2,26,29)