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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

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