1-(4-methylpentyl)-3-quinolin-5-yl-urea

Systemtic Name: 1-(4-methylpentyl)-3-quinolin-5-yl-urea Openeye Name: 1-isohexyl-3-(5-quinolyl)urea CAS Name: 1-(4-methylpentyl)-3-(5-quinolinyl)urea IUPAC Name: 1-(4-methylpentyl)-3-quinolin-5-ylurea Traditional Name: 1-isohexyl-3-(5-quinolyl)urea Formula: C16H21N3O MolecularWeight: 271.35744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCNC(=O)NC1=CC=CC2=C1C=CC=N2

Isomeric SMILES

CC(C)CCCNC(=O)NC1=CC=CC2=C1C=CC=N2

InChI

InChI=1S/C16H21N3O/c1-12(2)6-4-11-18-16(20)19-15-9-3-8-14-13(15)7-5-10-17-14/h3,5,7-10,12H,4,6,11H2,1-2H3,(H2,18,19,20)