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

Systemtic Name: 6-(1,3-benzodioxol-5-yl)-2-[[(2S)-1-cyclohexylcarbonylpyrrolidin-2-yl]methyl]pyridazin-3-one Openeye Name: 6-(1,3-benzodioxol-5-yl)-2-[[(2S)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one CAS Name: 6-(1,3-benzodioxol-5-yl)-2-[[(2S)-1-[cyclohexyl(oxo)methyl]-2-pyrrolidinyl]methyl]-3-pyridazinone IUPAC Name: 6-(1,3-benzodioxol-5-yl)-2-[[(2S)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one Traditional Name: 6-(1,3-benzodioxol-5-yl)-2-[[(2S)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one Formula: C23H27N3O4 MolecularWeight: 409.47818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2CCCC2CN3C(=O)C=CC(=N3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(CC1)C(=O)N2CCC[C@H]2CN3C(=O)C=CC(=N3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H27N3O4/c27-22-11-9-19(17-8-10-20-21(13-17)30-15-29-20)24-26(22)14-18-7-4-12-25(18)23(28)16-5-2-1-3-6-16/h8-11,13,16,18H,1-7,12,14-15H2/t18-/m0/s1