1-[4-(phenylmethyl)piperazin-1-yl]-3-[1-(2-thiophen-3-ylethanoyl)piperidin-3-yl]propan-1-one

Systemtic Name: 1-[4-(phenylmethyl)piperazin-1-yl]-3-[1-(2-thiophen-3-ylethanoyl)piperidin-3-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-[1-[2-(3-thienyl)acetyl]-3-piperidyl]propan-1-one CAS Name: 3-[1-[1-oxo-2-(3-thiophenyl)ethyl]-3-piperidinyl]-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-[1-(2-thiophen-3-ylacetyl)piperidin-3-yl]propan-1-one Traditional Name: 1-(4-benzylpiperazino)-3-[1-[2-(3-thienyl)acetyl]-3-piperidyl]propan-1-one Formula: C25H33N3O2S MolecularWeight: 439.61342

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CC2=CSC=C2)CCC(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CC(CN(C1)C(=O)CC2=CSC=C2)CCC(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H33N3O2S/c29-24(27-14-12-26(13-15-27)18-21-5-2-1-3-6-21)9-8-22-7-4-11-28(19-22)25(30)17-23-10-16-31-20-23/h1-3,5-6,10,16,20,22H,4,7-9,11-15,17-19H2