tert-butyl N-[4-(1-azanylisoquinolin-5-yl)oxycyclohexyl]carbamate

Systemtic Name: tert-butyl N-[4-(1-azanylisoquinolin-5-yl)oxycyclohexyl]carbamate Openeye Name: tert-butyl N-[4-[(1-amino-5-isoquinolyl)oxy]cyclohexyl]carbamate CAS Name: N-[4-[(1-amino-5-isoquinolinyl)oxy]cyclohexyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-(1-aminoisoquinolin-5-yl)oxycyclohexyl]carbamate Traditional Name: N-[4-[(1-amino-5-isoquinolyl)oxy]cyclohexyl]carbamic acid tert-butyl ester Formula: C20H27N3O3 MolecularWeight: 357.44668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCC(CC1)OC2=CC=CC3=C2C=CN=C3N

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCC(CC1)OC2=CC=CC3=C2C=CN=C3N

InChI

InChI=1S/C20H27N3O3/c1-20(2,3)26-19(24)23-13-7-9-14(10-8-13)25-17-6-4-5-16-15(17)11-12-22-18(16)21/h4-6,11-14H,7-10H2,1-3H3,(H2,21,22)(H,23,24)