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

Systemtic Name: 3-[3,5-bis(trifluoromethyl)phenyl]-1-(3-methylbutan-2-yl)-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]urea Openeye Name: 3-[3,5-bis(trifluoromethyl)phenyl]-1-(1,2-dimethylpropyl)-1-[[1-(m-tolylmethyl)pyrrol-2-yl]methyl]urea CAS Name: 3-[3,5-bis(trifluoromethyl)phenyl]-1-(3-methylbutan-2-yl)-1-[[1-[(3-methylphenyl)methyl]-2-pyrrolyl]methyl]urea IUPAC Name: 3-[3,5-bis(trifluoromethyl)phenyl]-1-(3-methylbutan-2-yl)-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]urea Traditional Name: 3-[3,5-bis(trifluoromethyl)phenyl]-1-(1,2-dimethylpropyl)-1-[[1-(3-methylbenzyl)pyrrol-2-yl]methyl]urea Formula: C27H29F6N3O MolecularWeight: 525.529079

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=CC=C2CN(C(C)C(C)C)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=CC=C2CN(C(C)C(C)C)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C27H29F6N3O/c1-17(2)19(4)36(16-24-9-6-10-35(24)15-20-8-5-7-18(3)11-20)25(37)34-23-13-21(26(28,29)30)12-22(14-23)27(31,32)33/h5-14,17,19H,15-16H2,1-4H3,(H,34,37)