4-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-yl]-5-(4-methylphenyl)pyrimidine

Systemtic Name: 4-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-yl]-5-(4-methylphenyl)pyrimidine Openeye Name: 4-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3-piperidyl]-5-(p-tolyl)pyrimidine CAS Name: 4-[1-[[1-(2-methoxyphenyl)-4-pyrazolyl]methyl]-3-piperidinyl]-5-(4-methylphenyl)pyrimidine IUPAC Name: 4-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-yl]-5-(4-methylphenyl)pyrimidine Traditional Name: 4-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3-piperidyl]-5-(p-tolyl)pyrimidine Formula: C27H29N5O MolecularWeight: 439.55206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CN=CN=C2C3CCCN(C3)CC4=CN(N=C4)C5=CC=CC=C5OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=CN=CN=C2C3CCCN(C3)CC4=CN(N=C4)C5=CC=CC=C5OC

InChI

InChI=1S/C27H29N5O/c1-20-9-11-22(12-10-20)24-15-28-19-29-27(24)23-6-5-13-31(18-23)16-21-14-30-32(17-21)25-7-3-4-8-26(25)33-2/h3-4,7-12,14-15,17,19,23H,5-6,13,16,18H2,1-2H3