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

Systemtic Name: tert-butyl N-[4-(4-cyanoisoquinolin-5-yl)oxycyclohexyl]carbamate Openeye Name: tert-butyl N-[4-[(4-cyano-5-isoquinolyl)oxy]cyclohexyl]carbamate CAS Name: N-[4-[(4-cyano-5-isoquinolinyl)oxy]cyclohexyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-(4-cyanoisoquinolin-5-yl)oxycyclohexyl]carbamate Traditional Name: N-[4-[(4-cyano-5-isoquinolyl)oxy]cyclohexyl]carbamic acid tert-butyl ester Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCC(CC1)OC2=CC=CC3=C2C(=CN=C3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCC(CC1)OC2=CC=CC3=C2C(=CN=C3)C#N

InChI

InChI=1S/C21H25N3O3/c1-21(2,3)27-20(25)24-16-7-9-17(10-8-16)26-18-6-4-5-14-12-23-13-15(11-22)19(14)18/h4-6,12-13,16-17H,7-10H2,1-3H3,(H,24,25)