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

Systemtic Name: [4-[4-[(4-bromanyl-3-methyl-phenyl)-phenyl-amino]piperidin-1-yl]-4-methyl-piperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone Openeye Name: [4-[4-(N-(4-bromo-3-methyl-phenyl)anilino)-1-piperidyl]-4-methyl-1-piperidyl]-(4,6-dimethylpyrimidin-5-yl)methanone CAS Name: [4-[4-(N-(4-bromo-3-methylphenyl)anilino)-1-piperidinyl]-4-methyl-1-piperidinyl]-(4,6-dimethyl-5-pyrimidinyl)methanone IUPAC Name: [4-[4-(N-(4-bromo-3-methylphenyl)anilino)piperidin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone Traditional Name: [4-[4-(N-(4-bromo-3-methyl-phenyl)anilino)piperidino]-4-methyl-piperidino]-(4,6-dimethylpyrimidin-5-yl)methanone Formula: C31H38BrN5O MolecularWeight: 576.57032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(C2CCN(CC2)C3(CCN(CC3)C(=O)C4=C(N=CN=C4C)C)C)C5=CC=CC=C5)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N(C2CCN(CC2)C3(CCN(CC3)C(=O)C4=C(N=CN=C4C)C)C)C5=CC=CC=C5)Br

InChI

InChI=1S/C31H38BrN5O/c1-22-20-27(10-11-28(22)32)37(25-8-6-5-7-9-25)26-12-16-36(17-13-26)31(4)14-18-35(19-15-31)30(38)29-23(2)33-21-34-24(29)3/h5-11,20-21,26H,12-19H2,1-4H3