1-[4-(2-methyl-6-pyrazol-1-yl-pyrimidin-4-yl)piperazin-1-yl]-2-phenoxy-propan-1-one

Systemtic Name: 1-[4-(2-methyl-6-pyrazol-1-yl-pyrimidin-4-yl)piperazin-1-yl]-2-phenoxy-propan-1-one Openeye Name: 1-[4-(2-methyl-6-pyrazol-1-yl-pyrimidin-4-yl)piperazin-1-yl]-2-phenoxy-propan-1-one CAS Name: 1-[4-[2-methyl-6-(1-pyrazolyl)-4-pyrimidinyl]-1-piperazinyl]-2-phenoxy-1-propanone IUPAC Name: 1-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-phenoxypropan-1-one Traditional Name: 1-[4-(2-methyl-6-pyrazol-1-yl-pyrimidin-4-yl)piperazino]-2-phenoxy-propan-1-one Formula: C21H24N6O2 MolecularWeight: 392.45426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)N2CCN(CC2)C(=O)C(C)OC3=CC=CC=C3)N4C=CC=N4

Isomeric SMILES

CC1=NC(=CC(=N1)N2CCN(CC2)C(=O)C(C)OC3=CC=CC=C3)N4C=CC=N4

InChI

InChI=1S/C21H24N6O2/c1-16(29-18-7-4-3-5-8-18)21(28)26-13-11-25(12-14-26)19-15-20(24-17(2)23-19)27-10-6-9-22-27/h3-10,15-16H,11-14H2,1-2H3