3-[4-(3,3-dimethyl-1-oxidanyl-pentyl)phenyl]-1-methyl-1-(1-methylpiperidin-4-yl)urea

Systemtic Name: 3-[4-(3,3-dimethyl-1-oxidanyl-pentyl)phenyl]-1-methyl-1-(1-methylpiperidin-4-yl)urea Openeye Name: 3-[4-(1-hydroxy-3,3-dimethyl-pentyl)phenyl]-1-methyl-1-(1-methyl-4-piperidyl)urea CAS Name: 3-[4-(1-hydroxy-3,3-dimethylpentyl)phenyl]-1-methyl-1-(1-methyl-4-piperidinyl)urea IUPAC Name: 3-[4-(1-hydroxy-3,3-dimethylpentyl)phenyl]-1-methyl-1-(1-methylpiperidin-4-yl)urea Traditional Name: 3-[4-(1-hydroxy-3,3-dimethyl-pentyl)phenyl]-1-methyl-1-(1-methyl-4-piperidyl)urea Formula: C21H35N3O2 MolecularWeight: 361.5215

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)CC(C1=CC=C(C=C1)NC(=O)N(C)C2CCN(CC2)C)O

Isomeric SMILES

CCC(C)(C)CC(C1=CC=C(C=C1)NC(=O)N(C)C2CCN(CC2)C)O

InChI

InChI=1S/C21H35N3O2/c1-6-21(2,3)15-19(25)16-7-9-17(10-8-16)22-20(26)24(5)18-11-13-23(4)14-12-18/h7-10,18-19,25H,6,11-15H2,1-5H3,(H,22,26)