3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1-[4-(2-pyrimidyl)piperazino]propan-1-one Formula: C26H27N5O2 MolecularWeight: 441.52488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)CCC(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)CCC(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C26H27N5O2/c1-33-20-9-7-19(8-10-20)25-22(21-5-2-3-6-23(21)29-25)11-12-24(32)30-15-17-31(18-16-30)26-27-13-4-14-28-26/h2-10,13-14,29H,11-12,15-18H2,1H3