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

Systemtic Name: 1-(1H-indol-3-yl)-3-(4-methylphenyl)-2-oxidanyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 2-hydroxy-1-(1H-indol-3-yl)-3-(p-tolyl)-3-[4-(2-pyridyl)piperazin-1-yl]propan-1-one CAS Name: 2-hydroxy-1-(1H-indol-3-yl)-3-(4-methylphenyl)-3-[4-(2-pyridinyl)-1-piperazinyl]-1-propanone IUPAC Name: 2-hydroxy-1-(1H-indol-3-yl)-3-(4-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 2-hydroxy-1-(1H-indol-3-yl)-3-(p-tolyl)-3-[4-(2-pyridyl)piperazino]propan-1-one Formula: C27H28N4O2 MolecularWeight: 440.53682

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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=CC=CC=N5

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4O2/c1-19-9-11-20(12-10-19)25(31-16-14-30(15-17-31)24-8-4-5-13-28-24)27(33)26(32)22-18-29-23-7-3-2-6-21(22)23/h2-13,18,25,27,29,33H,14-17H2,1H3