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

Systemtic Name: 6-chloranyl-3-[3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1-(phenylmethyl)quinoxalin-2-one Openeye Name: 1-benzyl-6-chloro-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinoxalin-2-one CAS Name: 6-chloro-3-[3-oxo-3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-1-(phenylmethyl)-2-quinoxalinone IUPAC Name: 1-benzyl-6-chloro-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinoxalin-2-one Traditional Name: 1-benzyl-6-chloro-3-[3-keto-3-[4-(2-pyrimidyl)piperazino]propyl]quinoxalin-2-one Formula: C26H25ClN6O2 MolecularWeight: 488.9687

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CCC3=NC4=C(C=CC(=C4)Cl)N(C3=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CCC3=NC4=C(C=CC(=C4)Cl)N(C3=O)CC5=CC=CC=C5

InChI

InChI=1S/C26H25ClN6O2/c27-20-7-9-23-22(17-20)30-21(25(35)33(23)18-19-5-2-1-3-6-19)8-10-24(34)31-13-15-32(16-14-31)26-28-11-4-12-29-26/h1-7,9,11-12,17H,8,10,13-16,18H2