2-phenyl-4-(pyridin-3-ylmethoxy)-5-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyridazin-3-one

Systemtic Name: 2-phenyl-4-(pyridin-3-ylmethoxy)-5-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyridazin-3-one Openeye Name: 2-phenyl-4-(3-pyridylmethoxy)-5-[4-(2-thienylmethyl)piperazin-1-yl]pyridazin-3-one CAS Name: 2-phenyl-4-(3-pyridinylmethoxy)-5-[4-(thiophen-2-ylmethyl)-1-piperazinyl]-3-pyridazinone IUPAC Name: 2-phenyl-4-(pyridin-3-ylmethoxy)-5-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyridazin-3-one Traditional Name: 2-phenyl-4-(3-pyridylmethoxy)-5-[4-(2-thenyl)piperazino]pyridazin-3-one Formula: C25H25N5O2S MolecularWeight: 459.5633

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CS2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)OCC5=CN=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CS2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)OCC5=CN=CC=C5

InChI

InChI=1S/C25H25N5O2S/c31-25-24(32-19-20-6-4-10-26-16-20)23(17-27-30(25)21-7-2-1-3-8-21)29-13-11-28(12-14-29)18-22-9-5-15-33-22/h1-10,15-17H,11-14,18-19H2