[4-[4-[[4-bromanyl-3-(trifluoromethyl)phenyl]-(phenylmethyl)amino]piperidin-1-yl]-4-methyl-piperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone

Systemtic Name: [4-[4-[[4-bromanyl-3-(trifluoromethyl)phenyl]-(phenylmethyl)amino]piperidin-1-yl]-4-methyl-piperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone Openeye Name: [4-[4-[N-benzyl-4-bromo-3-(trifluoromethyl)anilino]-1-piperidyl]-4-methyl-1-piperidyl]-(4,6-dimethylpyrimidin-5-yl)methanone CAS Name: [4-[4-[4-bromo-N-(phenylmethyl)-3-(trifluoromethyl)anilino]-1-piperidinyl]-4-methyl-1-piperidinyl]-(4,6-dimethyl-5-pyrimidinyl)methanone IUPAC Name: [4-[4-[N-benzyl-4-bromo-3-(trifluoromethyl)anilino]piperidin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone Traditional Name: [4-[4-[N-benzyl-4-bromo-3-(trifluoromethyl)anilino]piperidino]-4-methyl-piperidino]-(4,6-dimethylpyrimidin-5-yl)methanone Formula: C32H37BrF3N5O MolecularWeight: 644.56829

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC=N1)C)C(=O)N2CCC(CC2)(C)N3CCC(CC3)N(CC4=CC=CC=C4)C5=CC(=C(C=C5)Br)C(F)(F)F

Isomeric SMILES

CC1=C(C(=NC=N1)C)C(=O)N2CCC(CC2)(C)N3CCC(CC3)N(CC4=CC=CC=C4)C5=CC(=C(C=C5)Br)C(F)(F)F

InChI

InChI=1S/C32H37BrF3N5O/c1-22-29(23(2)38-21-37-22)30(42)39-17-13-31(3,14-18-39)40-15-11-25(12-16-40)41(20-24-7-5-4-6-8-24)26-9-10-28(33)27(19-26)32(34,35)36/h4-10,19,21,25H,11-18,20H2,1-3H3