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

Systemtic Name: 1-(3-methylbutan-2-yl)-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-[3-(trifluoromethyl)phenyl]urea Openeye Name: 1-(1,2-dimethylpropyl)-1-[[1-(m-tolylmethyl)pyrrol-2-yl]methyl]-3-[3-(trifluoromethyl)phenyl]urea CAS Name: 1-(3-methylbutan-2-yl)-1-[[1-[(3-methylphenyl)methyl]-2-pyrrolyl]methyl]-3-[3-(trifluoromethyl)phenyl]urea IUPAC Name: 1-(3-methylbutan-2-yl)-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-[3-(trifluoromethyl)phenyl]urea Traditional Name: 1-(1,2-dimethylpropyl)-1-[[1-(3-methylbenzyl)pyrrol-2-yl]methyl]-3-[3-(trifluoromethyl)phenyl]urea Formula: C26H30F3N3O MolecularWeight: 457.53111

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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

Isomeric SMILES

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

InChI

InChI=1S/C26H30F3N3O/c1-18(2)20(4)32(25(33)30-23-11-6-10-22(15-23)26(27,28)29)17-24-12-7-13-31(24)16-21-9-5-8-19(3)14-21/h5-15,18,20H,16-17H2,1-4H3,(H,30,33)