3-[3-oxidanylidene-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propyl]-1-phenethyl-quinoxalin-2-one

Systemtic Name: 3-[3-oxidanylidene-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propyl]-1-phenethyl-quinoxalin-2-one Openeye Name: 3-[3-oxo-3-[4-(3-thienylmethyl)piperazin-1-yl]propyl]-1-phenethyl-quinoxalin-2-one CAS Name: 3-[3-oxo-3-[4-(3-thiophenylmethyl)-1-piperazinyl]propyl]-1-phenethyl-2-quinoxalinone IUPAC Name: 3-[3-oxo-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propyl]-1-phenethylquinoxalin-2-one Traditional Name: 3-[3-keto-3-[4-(3-thenyl)piperazino]propyl]-1-phenethyl-quinoxalin-2-one Formula: C28H30N4O2S MolecularWeight: 486.6284

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC=C2)C(=O)CCC3=NC4=CC=CC=C4N(C3=O)CCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CSC=C2)C(=O)CCC3=NC4=CC=CC=C4N(C3=O)CCC5=CC=CC=C5

InChI

InChI=1S/C28H30N4O2S/c33-27(31-17-15-30(16-18-31)20-23-13-19-35-21-23)11-10-25-28(34)32(14-12-22-6-2-1-3-7-22)26-9-5-4-8-24(26)29-25/h1-9,13,19,21H,10-12,14-18,20H2