1-(5-nitrothiophen-3-yl)-3-[4-(phenylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 1-(5-nitrothiophen-3-yl)-3-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 3-(4-benzylpiperazin-1-yl)-1-(5-nitro-3-thienyl)propan-1-one CAS Name: 1-(5-nitro-3-thiophenyl)-3-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-benzylpiperazin-1-yl)-1-(5-nitrothiophen-3-yl)propan-1-one Traditional Name: 3-(4-benzylpiperazino)-1-(5-nitro-3-thienyl)propan-1-one Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)C2=CSC(=C2)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CCC(=O)C2=CSC(=C2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C18H21N3O3S/c22-17(16-12-18(21(23)24)25-14-16)6-7-19-8-10-20(11-9-19)13-15-4-2-1-3-5-15/h1-5,12,14H,6-11,13H2