3-[4-(3,3-dimethylpentyl)phenyl]-1-methyl-1-(2-pyridin-4-ylethyl)urea

Systemtic Name: 3-[4-(3,3-dimethylpentyl)phenyl]-1-methyl-1-(2-pyridin-4-ylethyl)urea Openeye Name: 3-[4-(3,3-dimethylpentyl)phenyl]-1-methyl-1-[2-(4-pyridyl)ethyl]urea CAS Name: 3-[4-(3,3-dimethylpentyl)phenyl]-1-methyl-1-(2-pyridin-4-ylethyl)urea IUPAC Name: 3-[4-(3,3-dimethylpentyl)phenyl]-1-methyl-1-(2-pyridin-4-ylethyl)urea Traditional Name: 3-[4-(3,3-dimethylpentyl)phenyl]-1-methyl-1-[2-(4-pyridyl)ethyl]urea Formula: C22H31N3O MolecularWeight: 353.50104

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)CCC1=CC=C(C=C1)NC(=O)N(C)CCC2=CC=NC=C2

Isomeric SMILES

CCC(C)(C)CCC1=CC=C(C=C1)NC(=O)N(C)CCC2=CC=NC=C2

InChI

InChI=1S/C22H31N3O/c1-5-22(2,3)14-10-18-6-8-20(9-7-18)24-21(26)25(4)17-13-19-11-15-23-16-12-19/h6-9,11-12,15-16H,5,10,13-14,17H2,1-4H3,(H,24,26)