1-[(2S)-4-(4-chloranyl-3-methoxy-phenyl)-2-methyl-piperazin-1-yl]-2-(4-chloranyl-5-methyl-3-pyrimidin-2-yl-pyrazol-1-yl)ethanone

Systemtic Name: 1-[(2S)-4-(4-chloranyl-3-methoxy-phenyl)-2-methyl-piperazin-1-yl]-2-(4-chloranyl-5-methyl-3-pyrimidin-2-yl-pyrazol-1-yl)ethanone Openeye Name: 1-[(2S)-4-(4-chloro-3-methoxy-phenyl)-2-methyl-piperazin-1-yl]-2-(4-chloro-5-methyl-3-pyrimidin-2-yl-pyrazol-1-yl)ethanone CAS Name: 1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methyl-1-piperazinyl]-2-[4-chloro-5-methyl-3-(2-pyrimidinyl)-1-pyrazolyl]ethanone IUPAC Name: 1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(4-chloro-5-methyl-3-pyrimidin-2-ylpyrazol-1-yl)ethanone Traditional Name: 1-[(2S)-4-(4-chloro-3-methoxy-phenyl)-2-methyl-piperazino]-2-[4-chloro-5-methyl-3-(2-pyrimidyl)pyrazol-1-yl]ethanone Formula: C22H24Cl2N6O2 MolecularWeight: 475.37096

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CN2C(=C(C(=N2)C3=NC=CC=N3)Cl)C)C4=CC(=C(C=C4)Cl)OC

Isomeric SMILES

C[C@H]1CN(CCN1C(=O)CN2C(=C(C(=N2)C3=NC=CC=N3)Cl)C)C4=CC(=C(C=C4)Cl)OC

InChI

InChI=1S/C22H24Cl2N6O2/c1-14-12-28(16-5-6-17(23)18(11-16)32-3)9-10-29(14)19(31)13-30-15(2)20(24)21(27-30)22-25-7-4-8-26-22/h4-8,11,14H,9-10,12-13H2,1-3H3/t14-/m0/s1