4-[1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]thiomorpholine

Systemtic Name: 4-[1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]thiomorpholine Openeye Name: 4-[1-[[5-(benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-4-piperidyl]thiomorpholine CAS Name: 4-[1-[[5-(2-benzofuranyl)-1H-pyrazol-4-yl]methyl]-4-piperidinyl]thiomorpholine IUPAC Name: 4-[1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]thiomorpholine Traditional Name: 4-[1-[[5-(benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-4-piperidyl]thiomorpholine Formula: C21H26N4OS MolecularWeight: 382.52234

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCSCC2)CC3=C(NN=C3)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CCC1N2CCSCC2)CC3=C(NN=C3)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C21H26N4OS/c1-2-4-19-16(3-1)13-20(26-19)21-17(14-22-23-21)15-24-7-5-18(6-8-24)25-9-11-27-12-10-25/h1-4,13-14,18H,5-12,15H2,(H,22,23)