1-(5-methylthiophen-2-yl)-7-(4-pyrazin-2-ylpiperazin-1-yl)heptane-1,4,7-trione

Systemtic Name: 1-(5-methylthiophen-2-yl)-7-(4-pyrazin-2-ylpiperazin-1-yl)heptane-1,4,7-trione Openeye Name: 1-(5-methyl-2-thienyl)-7-(4-pyrazin-2-ylpiperazin-1-yl)heptane-1,4,7-trione CAS Name: 1-(5-methyl-2-thiophenyl)-7-[4-(2-pyrazinyl)-1-piperazinyl]heptane-1,4,7-trione IUPAC Name: 1-(5-methylthiophen-2-yl)-7-(4-pyrazin-2-ylpiperazin-1-yl)heptane-1,4,7-trione Traditional Name: 1-(5-methyl-2-thienyl)-7-(4-pyrazin-2-ylpiperazino)heptane-1,4,7-trione Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)CCC(=O)N2CCN(CC2)C3=NC=CN=C3

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)CCC(=O)N2CCN(CC2)C3=NC=CN=C3

InChI

InChI=1S/C20H24N4O3S/c1-15-2-6-18(28-15)17(26)5-3-16(25)4-7-20(27)24-12-10-23(11-13-24)19-14-21-8-9-22-19/h2,6,8-9,14H,3-5,7,10-13H2,1H3