2-[4-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperazin-1-yl]pyrimidine

Systemtic Name: 2-[4-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperazin-1-yl]pyrimidine Openeye Name: 2-[4-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperazin-1-yl]pyrimidine CAS Name: 2-[4-[[1-methyl-3-(4-phenoxyphenyl)-4-pyrazolyl]methyl]-1-piperazinyl]pyrimidine IUPAC Name: 2-[4-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperazin-1-yl]pyrimidine Traditional Name: 2-[4-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperazino]pyrimidine Formula: C25H26N6O MolecularWeight: 426.51354

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=C(C=C2)OC3=CC=CC=C3)CN4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=C(C=C2)OC3=CC=CC=C3)CN4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C25H26N6O/c1-29-18-21(19-30-14-16-31(17-15-30)25-26-12-5-13-27-25)24(28-29)20-8-10-23(11-9-20)32-22-6-3-2-4-7-22/h2-13,18H,14-17,19H2,1H3