2-[[(2R)-1-(2-phenoxyethanoyl)pyrrolidin-2-yl]methyl]-6-thiophen-2-yl-pyridazin-3-one

Systemtic Name: 2-[[(2R)-1-(2-phenoxyethanoyl)pyrrolidin-2-yl]methyl]-6-thiophen-2-yl-pyridazin-3-one Openeye Name: 2-[[(2R)-1-(2-phenoxyacetyl)pyrrolidin-2-yl]methyl]-6-(2-thienyl)pyridazin-3-one CAS Name: 2-[[(2R)-1-(1-oxo-2-phenoxyethyl)-2-pyrrolidinyl]methyl]-6-thiophen-2-yl-3-pyridazinone IUPAC Name: 2-[[(2R)-1-(2-phenoxyacetyl)pyrrolidin-2-yl]methyl]-6-thiophen-2-ylpyridazin-3-one Traditional Name: 2-[[(2R)-1-(2-phenoxyacetyl)pyrrolidin-2-yl]methyl]-6-(2-thienyl)pyridazin-3-one Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)COC2=CC=CC=C2)CN3C(=O)C=CC(=N3)C4=CC=CS4

Isomeric SMILES

C1C[C@@H](N(C1)C(=O)COC2=CC=CC=C2)CN3C(=O)C=CC(=N3)C4=CC=CS4

InChI

InChI=1S/C21H21N3O3S/c25-20-11-10-18(19-9-5-13-28-19)22-24(20)14-16-6-4-12-23(16)21(26)15-27-17-7-2-1-3-8-17/h1-3,5,7-11,13,16H,4,6,12,14-15H2/t16-/m1/s1