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

Systemtic Name: 1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-7-(5-methylthiophen-2-yl)heptane-1,4,7-trione Openeye Name: 1-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-7-(5-methyl-2-thienyl)heptane-1,4,7-trione CAS Name: 1-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-7-(5-methyl-2-thiophenyl)heptane-1,4,7-trione IUPAC Name: 1-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-7-(5-methylthiophen-2-yl)heptane-1,4,7-trione Traditional Name: 1-[4-(4-chloro-2-nitro-phenyl)piperazino]-7-(5-methyl-2-thienyl)heptane-1,4,7-trione Formula: C22H24ClN3O5S MolecularWeight: 477.96106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O5S/c1-15-2-8-21(32-15)20(28)7-4-17(27)5-9-22(29)25-12-10-24(11-13-25)18-6-3-16(23)14-19(18)26(30)31/h2-3,6,8,14H,4-5,7,9-13H2,1H3