(4,6-dimethylpyrimidin-5-yl)-[4-[(3S)-4-[(1S)-1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-phenyl-ethyl]-3-methyl-piperazin-1-yl]-4-methyl-piperidin-1-yl]methanone

Systemtic Name: (4,6-dimethylpyrimidin-5-yl)-[4-[(3S)-4-[(1S)-1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-phenyl-ethyl]-3-methyl-piperazin-1-yl]-4-methyl-piperidin-1-yl]methanone Openeye Name: (4,6-dimethylpyrimidin-5-yl)-[4-[(3S)-4-[(1S)-1-[1-[(4-methoxyphenyl)methyl]-4-piperidyl]-2-phenyl-ethyl]-3-methyl-piperazin-1-yl]-4-methyl-1-piperidyl]methanone CAS Name: (4,6-dimethyl-5-pyrimidinyl)-[4-[(3S)-4-[(1S)-1-[1-[(4-methoxyphenyl)methyl]-4-piperidinyl]-2-phenylethyl]-3-methyl-1-piperazinyl]-4-methyl-1-piperidinyl]methanone IUPAC Name: (4,6-dimethylpyrimidin-5-yl)-[4-[(3S)-4-[(1S)-1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]methanone Traditional Name: (4,6-dimethylpyrimidin-5-yl)-[4-methyl-4-[(3S)-3-methyl-4-[(1S)-1-(1-p-anisyl-4-piperidyl)-2-phenyl-ethyl]piperazino]piperidino]methanone Formula: C39H54N6O2 MolecularWeight: 638.88506

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(CC2=CC=CC=C2)C3CCN(CC3)CC4=CC=C(C=C4)OC)C5(CCN(CC5)C(=O)C6=C(N=CN=C6C)C)C

Isomeric SMILES

C[C@H]1CN(CCN1[C@@H](CC2=CC=CC=C2)C3CCN(CC3)CC4=CC=C(C=C4)OC)C5(CCN(CC5)C(=O)C6=C(N=CN=C6C)C)C

InChI

InChI=1S/C39H54N6O2/c1-29-26-44(39(4)17-21-43(22-18-39)38(46)37-30(2)40-28-41-31(37)3)23-24-45(29)36(25-32-9-7-6-8-10-32)34-15-19-42(20-16-34)27-33-11-13-35(47-5)14-12-33/h6-14,28-29,34,36H,15-27H2,1-5H3/t29-,36-/m0/s1