(2R)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-1-piperazin-1-yl-2-pyridin-3-yl-ethanone

Systemtic Name: (2R)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-1-piperazin-1-yl-2-pyridin-3-yl-ethanone Openeye Name: (2R)-2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-1-piperazin-1-yl-2-(3-pyridyl)ethanone CAS Name: (2R)-2-[(3S,5S)-3,5-dimethyl-1-piperidinyl]-1-(1-piperazinyl)-2-(3-pyridinyl)ethanone IUPAC Name: (2R)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-1-piperazin-1-yl-2-pyridin-3-ylethanone Traditional Name: (2R)-2-[(3S,5S)-3,5-dimethylpiperidino]-1-piperazino-2-(3-pyridyl)ethanone Formula: C18H28N4O MolecularWeight: 316.44112

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(C2=CN=CC=C2)C(=O)N3CCNCC3)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)[C@H](C2=CN=CC=C2)C(=O)N3CCNCC3)C

InChI

InChI=1S/C18H28N4O/c1-14-10-15(2)13-22(12-14)17(16-4-3-5-20-11-16)18(23)21-8-6-19-7-9-21/h3-5,11,14-15,17,19H,6-10,12-13H2,1-2H3/t14-,15-,17+/m0/s1