3-[4-(3,3-dimethyl-1-oxidanyl-pentyl)phenyl]-1-methyl-1-(2-pyridin-4-ylethyl)urea

Systemtic Name: 3-[4-(3,3-dimethyl-1-oxidanyl-pentyl)phenyl]-1-methyl-1-(2-pyridin-4-ylethyl)urea Openeye Name: 3-[4-(1-hydroxy-3,3-dimethyl-pentyl)phenyl]-1-methyl-1-[2-(4-pyridyl)ethyl]urea CAS Name: 3-[4-(1-hydroxy-3,3-dimethylpentyl)phenyl]-1-methyl-1-(2-pyridin-4-ylethyl)urea IUPAC Name: 3-[4-(1-hydroxy-3,3-dimethylpentyl)phenyl]-1-methyl-1-(2-pyridin-4-ylethyl)urea Traditional Name: 3-[4-(1-hydroxy-3,3-dimethyl-pentyl)phenyl]-1-methyl-1-[2-(4-pyridyl)ethyl]urea Formula: C22H31N3O2 MolecularWeight: 369.50044

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)CC(C1=CC=C(C=C1)NC(=O)N(C)CCC2=CC=NC=C2)O

Isomeric SMILES

CCC(C)(C)CC(C1=CC=C(C=C1)NC(=O)N(C)CCC2=CC=NC=C2)O

InChI

InChI=1S/C22H31N3O2/c1-5-22(2,3)16-20(26)18-6-8-19(9-7-18)24-21(27)25(4)15-12-17-10-13-23-14-11-17/h6-11,13-14,20,26H,5,12,15-16H2,1-4H3,(H,24,27)