1-heptyl-3-(6-methoxyquinolin-5-yl)-1-[[4-(3-methylbutyl)phenyl]methyl]urea

Systemtic Name: 1-heptyl-3-(6-methoxyquinolin-5-yl)-1-[[4-(3-methylbutyl)phenyl]methyl]urea Openeye Name: 1-heptyl-1-[(4-isopentylphenyl)methyl]-3-(6-methoxy-5-quinolyl)urea CAS Name: 1-heptyl-3-(6-methoxy-5-quinolinyl)-1-[[4-(3-methylbutyl)phenyl]methyl]urea IUPAC Name: 1-heptyl-3-(6-methoxyquinolin-5-yl)-1-[[4-(3-methylbutyl)phenyl]methyl]urea Traditional Name: 1-heptyl-1-(4-isoamylbenzyl)-3-(6-methoxy-5-quinolyl)urea Formula: C30H41N3O2 MolecularWeight: 475.66544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H41N3O2/c1-5-6-7-8-9-21-33(22-25-16-14-24(15-17-25)13-12-23(2)3)30(34)32-29-26-11-10-20-31-27(26)18-19-28(29)35-4/h10-11,14-20,23H,5-9,12-13,21-22H2,1-4H3,(H,32,34)