3-(3,4-dimethylphenyl)-1-(3-methylbutyl)-1-(1-pyridin-2-ylethyl)urea

Systemtic Name: 3-(3,4-dimethylphenyl)-1-(3-methylbutyl)-1-(1-pyridin-2-ylethyl)urea Openeye Name: 3-(3,4-dimethylphenyl)-1-isopentyl-1-[1-(2-pyridyl)ethyl]urea CAS Name: 3-(3,4-dimethylphenyl)-1-(3-methylbutyl)-1-[1-(2-pyridinyl)ethyl]urea IUPAC Name: 3-(3,4-dimethylphenyl)-1-(3-methylbutyl)-1-(1-pyridin-2-ylethyl)urea Traditional Name: 3-(3,4-dimethylphenyl)-1-isoamyl-1-[1-(2-pyridyl)ethyl]urea Formula: C21H29N3O MolecularWeight: 339.47446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)N(CCC(C)C)C(C)C2=CC=CC=N2)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)N(CCC(C)C)C(C)C2=CC=CC=N2)C

InChI

InChI=1S/C21H29N3O/c1-15(2)11-13-24(18(5)20-8-6-7-12-22-20)21(25)23-19-10-9-16(3)17(4)14-19/h6-10,12,14-15,18H,11,13H2,1-5H3,(H,23,25)