1-(5-methylthiophen-2-yl)-7-[4-(2-nitrophenyl)piperazin-1-yl]heptane-1,4,7-trione

Systemtic Name: 1-(5-methylthiophen-2-yl)-7-[4-(2-nitrophenyl)piperazin-1-yl]heptane-1,4,7-trione Openeye Name: 1-(5-methyl-2-thienyl)-7-[4-(2-nitrophenyl)piperazin-1-yl]heptane-1,4,7-trione CAS Name: 1-(5-methyl-2-thiophenyl)-7-[4-(2-nitrophenyl)-1-piperazinyl]heptane-1,4,7-trione IUPAC Name: 1-(5-methylthiophen-2-yl)-7-[4-(2-nitrophenyl)piperazin-1-yl]heptane-1,4,7-trione Traditional Name: 1-(5-methyl-2-thienyl)-7-[4-(2-nitrophenyl)piperazino]heptane-1,4,7-trione Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O5S/c1-16-6-10-21(31-16)20(27)9-7-17(26)8-11-22(28)24-14-12-23(13-15-24)18-4-2-3-5-19(18)25(29)30/h2-6,10H,7-9,11-15H2,1H3