tert-butyl N-[4-[(4-methyl-1-oxidanylidene-2H-isoquinolin-5-yl)amino]cyclohexyl]carbamate

Systemtic Name: tert-butyl N-[4-[(4-methyl-1-oxidanylidene-2H-isoquinolin-5-yl)amino]cyclohexyl]carbamate Openeye Name: tert-butyl N-[4-[(4-methyl-1-oxo-2H-isoquinolin-5-yl)amino]cyclohexyl]carbamate CAS Name: N-[4-[(4-methyl-1-oxo-2H-isoquinolin-5-yl)amino]cyclohexyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[(4-methyl-1-oxo-2H-isoquinolin-5-yl)amino]cyclohexyl]carbamate Traditional Name: N-[4-[(1-keto-4-methyl-2H-isoquinolin-5-yl)amino]cyclohexyl]carbamic acid tert-butyl ester Formula: C21H29N3O3 MolecularWeight: 371.47326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CNC(=O)C2=C1C(=CC=C2)NC3CCC(CC3)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CNC(=O)C2=C1C(=CC=C2)NC3CCC(CC3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H29N3O3/c1-13-12-22-19(25)16-6-5-7-17(18(13)16)23-14-8-10-15(11-9-14)24-20(26)27-21(2,3)4/h5-7,12,14-15,23H,8-11H2,1-4H3,(H,22,25)(H,24,26)