6-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]carbonyl-2-methyl-pyridazin-3-one

Systemtic Name: 6-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]carbonyl-2-methyl-pyridazin-3-one Openeye Name: 6-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-2-methyl-pyridazin-3-one CAS Name: 6-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-oxomethyl]-2-methyl-3-pyridazinone IUPAC Name: 6-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-2-methylpyridazin-3-one Traditional Name: 6-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-2-methyl-pyridazin-3-one Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=CC(=N1)C(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CN1C(=O)C=CC(=N1)C(=O)N2CCC[C@H]2C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C19H21N3O4/c1-21-18(23)8-6-14(20-21)19(24)22-9-2-4-15(22)13-5-7-16-17(12-13)26-11-3-10-25-16/h5-8,12,15H,2-4,9-11H2,1H3/t15-/m0/s1