tert-butyl N-methyl-N-[[3-[(1-oxidanylidene-2H-isoquinolin-3-yl)carbonylamino]phenyl]methyl]carbamate

Systemtic Name: tert-butyl N-methyl-N-[[3-[(1-oxidanylidene-2H-isoquinolin-3-yl)carbonylamino]phenyl]methyl]carbamate Openeye Name: tert-butyl N-methyl-N-[[3-[(1-oxo-2H-isoquinoline-3-carbonyl)amino]phenyl]methyl]carbamate CAS Name: N-methyl-N-[[3-[[oxo-(1-oxo-2H-isoquinolin-3-yl)methyl]amino]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-methyl-N-[[3-[(1-oxo-2H-isoquinoline-3-carbonyl)amino]phenyl]methyl]carbamate Traditional Name: N-[3-[(1-keto-2H-isoquinoline-3-carbonyl)amino]benzyl]-N-methyl-carbamic acid tert-butyl ester Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C)CC1=CC(=CC=C1)NC(=O)C2=CC3=CC=CC=C3C(=O)N2

Isomeric SMILES

CC(C)(C)OC(=O)N(C)CC1=CC(=CC=C1)NC(=O)C2=CC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C23H25N3O4/c1-23(2,3)30-22(29)26(4)14-15-8-7-10-17(12-15)24-21(28)19-13-16-9-5-6-11-18(16)20(27)25-19/h5-13H,14H2,1-4H3,(H,24,28)(H,25,27)