1-(2,5-dimethylthiophen-3-yl)-4-[4-(3-methoxyphenyl)piperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(2,5-dimethylthiophen-3-yl)-4-[4-(3-methoxyphenyl)piperazin-1-yl]butane-1,4-dione Openeye Name: 1-(2,5-dimethyl-3-thienyl)-4-[4-(3-methoxyphenyl)piperazin-1-yl]butane-1,4-dione CAS Name: 1-(2,5-dimethyl-3-thiophenyl)-4-[4-(3-methoxyphenyl)-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(2,5-dimethylthiophen-3-yl)-4-[4-(3-methoxyphenyl)piperazin-1-yl]butane-1,4-dione Traditional Name: 1-(2,5-dimethyl-3-thienyl)-4-[4-(3-methoxyphenyl)piperazino]butane-1,4-dione Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S/c1-15-13-19(16(2)27-15)20(24)7-8-21(25)23-11-9-22(10-12-23)17-5-4-6-18(14-17)26-3/h4-6,13-14H,7-12H2,1-3H3