1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one

Systemtic Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one Openeye Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propan-1-one CAS Name: 1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-3-[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]-1-propanone IUPAC Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one Traditional Name: 1-[4-(2,3-dimethylphenyl)piperazino]-3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propan-1-one Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCC3=NC(=NO3)C4=CSC=C4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCC3=NC(=NO3)C4=CSC=C4)C

InChI

InChI=1S/C21H24N4O2S/c1-15-4-3-5-18(16(15)2)24-9-11-25(12-10-24)20(26)7-6-19-22-21(23-27-19)17-8-13-28-14-17/h3-5,8,13-14H,6-7,9-12H2,1-2H3