2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]ethanone

Systemtic Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]ethanone Openeye Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-[(3S)-3-pyrimidin-4-yl-1-piperidyl]ethanone CAS Name: 2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-[(3S)-3-(4-pyrimidinyl)-1-piperidinyl]ethanone IUPAC Name: 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]ethanone Traditional Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-[(3S)-3-(4-pyrimidyl)piperidino]ethanone Formula: C22H25N5O MolecularWeight: 375.4668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)N3CCCC(C3)C4=NC=NC=C4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)N3CCC[C@@H](C3)C4=NC=NC=C4

InChI

InChI=1S/C22H25N5O/c1-16-20(17(2)27(25-16)19-8-4-3-5-9-19)13-22(28)26-12-6-7-18(14-26)21-10-11-23-15-24-21/h3-5,8-11,15,18H,6-7,12-14H2,1-2H3/t18-/m0/s1