2-(1-azanyl-6-iodanyl-isoquinolin-7-yl)oxyethyl N-tert-butylcarbamate

Systemtic Name: 2-(1-azanyl-6-iodanyl-isoquinolin-7-yl)oxyethyl N-tert-butylcarbamate Openeye Name: 2-[(1-amino-6-iodo-7-isoquinolyl)oxy]ethyl N-tert-butylcarbamate CAS Name: N-tert-butylcarbamic acid 2-[(1-amino-6-iodo-7-isoquinolinyl)oxy]ethyl ester IUPAC Name: 2-(1-amino-6-iodoisoquinolin-7-yl)oxyethyl N-tert-butylcarbamate Traditional Name: N-tert-butylcarbamic acid 2-[(1-amino-6-iodo-7-isoquinolyl)oxy]ethyl ester Formula: C16H20IN3O3 MolecularWeight: 429.25277

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)OCCOC1=C(C=C2C=CN=C(C2=C1)N)I

Isomeric SMILES

CC(C)(C)NC(=O)OCCOC1=C(C=C2C=CN=C(C2=C1)N)I

InChI

InChI=1S/C16H20IN3O3/c1-16(2,3)20-15(21)23-7-6-22-13-9-11-10(8-12(13)17)4-5-19-14(11)18/h4-5,8-9H,6-7H2,1-3H3,(H2,18,19)(H,20,21)