[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C20H22N6O MolecularWeight: 362.42828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NNC(=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NNC(=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4)C

InChI

InChI=1S/C20H22N6O/c1-14-4-5-16(12-15(14)2)17-13-18(24-23-17)19(27)25-8-10-26(11-9-25)20-21-6-3-7-22-20/h3-7,12-13H,8-11H2,1-2H3,(H,23,24)