3-[3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1-phenethyl-quinoxalin-2-one

Systemtic Name: 3-[3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1-phenethyl-quinoxalin-2-one Openeye Name: 3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1-phenethyl-quinoxalin-2-one CAS Name: 3-[3-oxo-3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-1-phenethyl-2-quinoxalinone IUPAC Name: 3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1-phenethylquinoxalin-2-one Traditional Name: 3-[3-keto-3-[4-(2-pyrimidyl)piperazino]propyl]-1-phenethyl-quinoxalin-2-one Formula: C27H28N6O2 MolecularWeight: 468.55022

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CCC3=NC4=CC=CC=C4N(C3=O)CCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CCC3=NC4=CC=CC=C4N(C3=O)CCC5=CC=CC=C5

InChI

InChI=1S/C27H28N6O2/c34-25(31-17-19-32(20-18-31)27-28-14-6-15-29-27)12-11-23-26(35)33(16-13-21-7-2-1-3-8-21)24-10-5-4-9-22(24)30-23/h1-10,14-15H,11-13,16-20H2