3-[3,5-bis(trifluoromethyl)phenyl]-1-butyl-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea

Systemtic Name: 3-[3,5-bis(trifluoromethyl)phenyl]-1-butyl-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea Openeye Name: 3-[3,5-bis(trifluoromethyl)phenyl]-1-butyl-1-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]urea CAS Name: 3-[3,5-bis(trifluoromethyl)phenyl]-1-butyl-1-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]urea IUPAC Name: 3-[3,5-bis(trifluoromethyl)phenyl]-1-butyl-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea Traditional Name: 3-[3,5-bis(trifluoromethyl)phenyl]-1-butyl-1-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]urea Formula: C26H27F6N3O MolecularWeight: 511.502499

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CN1CC2=CC=CC=C2C)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCCCN(CC1=CC=CN1CC2=CC=CC=C2C)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C26H27F6N3O/c1-3-4-11-35(17-23-10-7-12-34(23)16-19-9-6-5-8-18(19)2)24(36)33-22-14-20(25(27,28)29)13-21(15-22)26(30,31)32/h5-10,12-15H,3-4,11,16-17H2,1-2H3,(H,33,36)