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

Systemtic Name: tert-butyl N-[[6-(methoxycarbamoylamino)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[2-isobutyl-6-(methoxycarbamoylamino)-1-oxo-4-phenyl-3-isoquinolyl]methyl]carbamate CAS Name: N-[[6-[[(methoxyamino)-oxomethyl]amino]-2-(2-methylpropyl)-1-oxo-4-phenyl-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[6-(methoxycarbamoylamino)-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[2-isobutyl-1-keto-6-(methoxycarbamoylamino)-4-phenyl-3-isoquinolyl]methyl]carbamic acid tert-butyl ester Formula: C27H34N4O5 MolecularWeight: 494.58266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)NC(=O)NOC)C3=CC=CC=C3)CNC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)NC(=O)NOC)C3=CC=CC=C3)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C27H34N4O5/c1-17(2)16-31-22(15-28-26(34)36-27(3,4)5)23(18-10-8-7-9-11-18)21-14-19(29-25(33)30-35-6)12-13-20(21)24(31)32/h7-14,17H,15-16H2,1-6H3,(H,28,34)(H2,29,30,33)