tert-butyl N-isoquinolin-3-yl-N-[(E)-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate

Systemtic Name: tert-butyl N-isoquinolin-3-yl-N-[(E)-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate Openeye Name: tert-butyl N-[(E)-N'-tert-butoxycarbonylcarbamimidoyl]-N-(3-isoquinolyl)carbamate CAS Name: N-[(E)-amino-[(2-methylpropan-2-yl)oxy-oxomethyl]iminomethyl]-N-(3-isoquinolinyl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-isoquinolin-3-yl-N-[(E)-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate Traditional Name: N-[(E)-N'-tert-butoxycarbonylamidino]-N-(3-isoquinolyl)carbamic acid tert-butyl ester Formula: C20H26N4O4 MolecularWeight: 386.44484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N=C(N)N(C1=CC2=CC=CC=C2C=N1)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)/N=C(\N)/N(C1=CC2=CC=CC=C2C=N1)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H26N4O4/c1-19(2,3)27-17(25)23-16(21)24(18(26)28-20(4,5)6)15-11-13-9-7-8-10-14(13)12-22-15/h7-12H,1-6H3,(H2,21,23,25)