6-(1,3-benzodioxol-5-yl)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one

Systemtic Name: 6-(1,3-benzodioxol-5-yl)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one Openeye Name: 6-(1,3-benzodioxol-5-yl)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one CAS Name: 6-(1,3-benzodioxol-5-yl)-2-[[(2S)-2-pyrrolidinyl]methyl]-3-pyridazinone IUPAC Name: 6-(1,3-benzodioxol-5-yl)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one Traditional Name: 6-(1,3-benzodioxol-5-yl)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)CN2C(=O)C=CC(=N2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[C@H](NC1)CN2C(=O)C=CC(=N2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C16H17N3O3/c20-16-6-4-13(18-19(16)9-12-2-1-7-17-12)11-3-5-14-15(8-11)22-10-21-14/h3-6,8,12,17H,1-2,7,9-10H2/t12-/m0/s1