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

Systemtic Name: 3-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]carbonyl-1H-pyridazin-6-one Openeye Name: 3-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one CAS Name: 3-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-oxomethyl]-1H-pyridazin-6-one IUPAC Name: 3-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one Traditional Name: 3-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one Formula: C18H19N3O4 MolecularWeight: 341.36116

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=NNC(=O)C=C2)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=NNC(=O)C=C2)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C18H19N3O4/c22-17-7-5-13(19-20-17)18(23)21-8-1-3-14(21)12-4-6-15-16(11-12)25-10-2-9-24-15/h4-7,11,14H,1-3,8-10H2,(H,20,22)/t14-/m0/s1