1-(2-methylpropyl)-3-(2-methylquinolin-4-yl)-1-[[4-(phenylmethyl)piperidin-1-yl]methyl]urea

Systemtic Name: 1-(2-methylpropyl)-3-(2-methylquinolin-4-yl)-1-[[4-(phenylmethyl)piperidin-1-yl]methyl]urea Openeye Name: 1-[(4-benzyl-1-piperidyl)methyl]-1-isobutyl-3-(2-methyl-4-quinolyl)urea CAS Name: 1-(2-methylpropyl)-3-(2-methyl-4-quinolinyl)-1-[[4-(phenylmethyl)-1-piperidinyl]methyl]urea IUPAC Name: 1-[(4-benzylpiperidin-1-yl)methyl]-1-(2-methylpropyl)-3-(2-methylquinolin-4-yl)urea Traditional Name: 1-[(4-benzylpiperidino)methyl]-1-isobutyl-3-(2-methyl-4-quinolyl)urea Formula: C28H36N4O MolecularWeight: 444.61164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC(=O)N(CC(C)C)CN3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC(=O)N(CC(C)C)CN3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C28H36N4O/c1-21(2)19-32(20-31-15-13-24(14-16-31)18-23-9-5-4-6-10-23)28(33)30-27-17-22(3)29-26-12-8-7-11-25(26)27/h4-12,17,21,24H,13-16,18-20H2,1-3H3,(H,29,30,33)