1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine

Systemtic Name: 1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine Openeye Name: 1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-4-(3-pyridylmethyl)piperazine CAS Name: 1-[[1-methyl-3-(4-phenoxyphenyl)-4-pyrazolyl]methyl]-4-(3-pyridinylmethyl)piperazine IUPAC Name: 1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine Traditional Name: 1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-4-(3-pyridylmethyl)piperazine Formula: C27H29N5O MolecularWeight: 439.55206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=C(C=C2)OC3=CC=CC=C3)CN4CCN(CC4)CC5=CN=CC=C5

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=C(C=C2)OC3=CC=CC=C3)CN4CCN(CC4)CC5=CN=CC=C5

InChI

InChI=1S/C27H29N5O/c1-30-20-24(21-32-16-14-31(15-17-32)19-22-6-5-13-28-18-22)27(29-30)23-9-11-26(12-10-23)33-25-7-3-2-4-8-25/h2-13,18,20H,14-17,19,21H2,1H3