1-[4-(2-methyl-6-pyrazol-1-yl-pyrimidin-4-yl)piperazin-1-yl]-4-phenyl-butan-1-one

Systemtic Name: 1-[4-(2-methyl-6-pyrazol-1-yl-pyrimidin-4-yl)piperazin-1-yl]-4-phenyl-butan-1-one Openeye Name: 1-[4-(2-methyl-6-pyrazol-1-yl-pyrimidin-4-yl)piperazin-1-yl]-4-phenyl-butan-1-one CAS Name: 1-[4-[2-methyl-6-(1-pyrazolyl)-4-pyrimidinyl]-1-piperazinyl]-4-phenyl-1-butanone IUPAC Name: 1-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-4-phenylbutan-1-one Traditional Name: 1-[4-(2-methyl-6-pyrazol-1-yl-pyrimidin-4-yl)piperazino]-4-phenyl-butan-1-one Formula: C22H26N6O MolecularWeight: 390.48144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)N2CCN(CC2)C(=O)CCCC3=CC=CC=C3)N4C=CC=N4

Isomeric SMILES

CC1=NC(=CC(=N1)N2CCN(CC2)C(=O)CCCC3=CC=CC=C3)N4C=CC=N4

InChI

InChI=1S/C22H26N6O/c1-18-24-20(17-21(25-18)28-12-6-11-23-28)26-13-15-27(16-14-26)22(29)10-5-9-19-7-3-2-4-8-19/h2-4,6-8,11-12,17H,5,9-10,13-16H2,1H3