1-heptyl-1-[[4-(3-methylbutyl)phenyl]methyl]-3-quinolin-5-yl-urea

Systemtic Name: 1-heptyl-1-[[4-(3-methylbutyl)phenyl]methyl]-3-quinolin-5-yl-urea Openeye Name: 1-heptyl-1-[(4-isopentylphenyl)methyl]-3-(5-quinolyl)urea CAS Name: 1-heptyl-1-[[4-(3-methylbutyl)phenyl]methyl]-3-(5-quinolinyl)urea IUPAC Name: 1-heptyl-1-[[4-(3-methylbutyl)phenyl]methyl]-3-quinolin-5-ylurea Traditional Name: 1-heptyl-1-(4-isoamylbenzyl)-3-(5-quinolyl)urea Formula: C29H39N3O MolecularWeight: 445.63946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CC1=CC=C(C=C1)CCC(C)C)C(=O)NC2=CC=CC3=C2C=CC=N3

Isomeric SMILES

CCCCCCCN(CC1=CC=C(C=C1)CCC(C)C)C(=O)NC2=CC=CC3=C2C=CC=N3

InChI

InChI=1S/C29H39N3O/c1-4-5-6-7-8-21-32(22-25-18-16-24(17-19-25)15-14-23(2)3)29(33)31-28-13-9-12-27-26(28)11-10-20-30-27/h9-13,16-20,23H,4-8,14-15,21-22H2,1-3H3,(H,31,33)