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

Systemtic Name: 1-[4-(phenylmethyl)piperazin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propan-1-one CAS Name: 1-[4-(phenylmethyl)-1-piperazinyl]-3-[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one Traditional Name: 1-(4-benzylpiperazino)-3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propan-1-one Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CCC3=NC(=NO3)C4=CSC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CCC3=NC(=NO3)C4=CSC=C4

InChI

InChI=1S/C20H22N4O2S/c25-19(7-6-18-21-20(22-26-18)17-8-13-27-15-17)24-11-9-23(10-12-24)14-16-4-2-1-3-5-16/h1-5,8,13,15H,6-7,9-12,14H2