tert-butyl N-[[1-[2-oxidanylidene-2-(pyridin-4-ylmethylamino)ethyl]cyclohexyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[1-[2-oxidanylidene-2-(pyridin-4-ylmethylamino)ethyl]cyclohexyl]methyl]carbamate Openeye Name: tert-butyl N-[[1-[2-oxo-2-(4-pyridylmethylamino)ethyl]cyclohexyl]methyl]carbamate CAS Name: N-[[1-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]cyclohexyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[1-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]cyclohexyl]methyl]carbamate Traditional Name: N-[[1-[2-keto-2-(4-pyridylmethylamino)ethyl]cyclohexyl]methyl]carbamic acid tert-butyl ester Formula: C20H31N3O3 MolecularWeight: 361.47844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1(CCCCC1)CC(=O)NCC2=CC=NC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NCC1(CCCCC1)CC(=O)NCC2=CC=NC=C2

InChI

InChI=1S/C20H31N3O3/c1-19(2,3)26-18(25)23-15-20(9-5-4-6-10-20)13-17(24)22-14-16-7-11-21-12-8-16/h7-8,11-12H,4-6,9-10,13-15H2,1-3H3,(H,22,24)(H,23,25)