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

Systemtic Name: 1-(1H-indol-3-yl)-2-oxidanyl-3-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 2-hydroxy-1-(1H-indol-3-yl)-3-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one CAS Name: 2-hydroxy-1-(1H-indol-3-yl)-3-phenyl-3-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: 2-hydroxy-1-(1H-indol-3-yl)-3-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 2-hydroxy-1-(1H-indol-3-yl)-3-phenyl-3-[4-(2-pyrimidyl)piperazino]propan-1-one Formula: C25H25N5O2 MolecularWeight: 427.4983

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(C3=CC=CC=C3)C(C(=O)C4=CNC5=CC=CC=C54)O

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(C3=CC=CC=C3)C(C(=O)C4=CNC5=CC=CC=C54)O

InChI

InChI=1S/C25H25N5O2/c31-23(20-17-28-21-10-5-4-9-19(20)21)24(32)22(18-7-2-1-3-8-18)29-13-15-30(16-14-29)25-26-11-6-12-27-25/h1-12,17,22,24,28,32H,13-16H2