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

Systemtic Name: 2-(4-methoxyphenyl)-5-[[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]pyrimidine Openeye Name: 2-(4-methoxyphenyl)-5-[[3-(4-phenylpiperazin-1-yl)-1-piperidyl]methyl]pyrimidine CAS Name: 2-(4-methoxyphenyl)-5-[[3-(4-phenyl-1-piperazinyl)-1-piperidinyl]methyl]pyrimidine IUPAC Name: 2-(4-methoxyphenyl)-5-[[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]pyrimidine Traditional Name: 2-(4-methoxyphenyl)-5-[[3-(4-phenylpiperazino)piperidino]methyl]pyrimidine Formula: C27H33N5O MolecularWeight: 443.58382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC=C(C=N2)CN3CCCC(C3)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC=C(C=N2)CN3CCCC(C3)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H33N5O/c1-33-26-11-9-23(10-12-26)27-28-18-22(19-29-27)20-30-13-5-8-25(21-30)32-16-14-31(15-17-32)24-6-3-2-4-7-24/h2-4,6-7,9-12,18-19,25H,5,8,13-17,20-21H2,1H3