1-(1H-indol-3-yl)-3-(4-methylphenyl)-2-oxidanyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(C(=O)C2=CNC3=CC=CC=C32)O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC1=CC=C(C=C1)C(C(C(=O)C2=CNC3=CC=CC=C32)O)N4CCN(CC4)C5=NC=CC=N5

InChI

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