3-[2-oxidanylidene-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]-4-(thiophen-2-ylmethyl)piperazin-2-one

Systemtic Name: 3-[2-oxidanylidene-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]-4-(thiophen-2-ylmethyl)piperazin-2-one Openeye Name: 3-[2-oxo-2-[4-(3-pyridylmethyl)piperazin-1-yl]ethyl]-4-(2-thienylmethyl)piperazin-2-one CAS Name: 3-[2-oxo-2-[4-(3-pyridinylmethyl)-1-piperazinyl]ethyl]-4-(thiophen-2-ylmethyl)-2-piperazinone IUPAC Name: 3-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]-4-(thiophen-2-ylmethyl)piperazin-2-one Traditional Name: 3-[2-keto-2-[4-(3-pyridylmethyl)piperazino]ethyl]-4-(2-thenyl)piperazin-2-one Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)CC(=O)N2CCN(CC2)CC3=CN=CC=C3)CC4=CC=CS4

Isomeric SMILES

C1CN(C(C(=O)N1)CC(=O)N2CCN(CC2)CC3=CN=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C21H27N5O2S/c27-20(25-10-8-24(9-11-25)15-17-3-1-5-22-14-17)13-19-21(28)23-6-7-26(19)16-18-4-2-12-29-18/h1-5,12,14,19H,6-11,13,15-16H2,(H,23,28)