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

Systemtic Name: (4,6-dimethylpyrimidin-5-yl)-[4-methyl-4-[(3S)-3-methyl-4-(2-phenyl-1-piperidin-3-yl-ethyl)piperazin-1-yl]piperidin-1-yl]methanone Openeye Name: (4,6-dimethylpyrimidin-5-yl)-[4-methyl-4-[(3S)-3-methyl-4-[2-phenyl-1-(3-piperidyl)ethyl]piperazin-1-yl]-1-piperidyl]methanone CAS Name: (4,6-dimethyl-5-pyrimidinyl)-[4-methyl-4-[(3S)-3-methyl-4-[2-phenyl-1-(3-piperidinyl)ethyl]-1-piperazinyl]-1-piperidinyl]methanone IUPAC Name: (4,6-dimethylpyrimidin-5-yl)-[4-methyl-4-[(3S)-3-methyl-4-(2-phenyl-1-piperidin-3-ylethyl)piperazin-1-yl]piperidin-1-yl]methanone Traditional Name: (4,6-dimethylpyrimidin-5-yl)-[4-methyl-4-[(3S)-3-methyl-4-[2-phenyl-1-(3-piperidyl)ethyl]piperazino]piperidino]methanone Formula: C31H46N6O MolecularWeight: 518.73654

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(CC2=CC=CC=C2)C3CCCNC3)C4(CCN(CC4)C(=O)C5=C(N=CN=C5C)C)C

Isomeric SMILES

C[C@H]1CN(CCN1C(CC2=CC=CC=C2)C3CCCNC3)C4(CCN(CC4)C(=O)C5=C(N=CN=C5C)C)C

InChI

InChI=1S/C31H46N6O/c1-23-21-36(31(4)12-15-35(16-13-31)30(38)29-24(2)33-22-34-25(29)3)17-18-37(23)28(27-11-8-14-32-20-27)19-26-9-6-5-7-10-26/h5-7,9-10,22-23,27-28,32H,8,11-21H2,1-4H3/t23-,27?,28?/m0/s1