2-[2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-5,6-dimethyl-3-oxidanylidene-pyridazine-4-carbonitrile

Systemtic Name: 2-[2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-5,6-dimethyl-3-oxidanylidene-pyridazine-4-carbonitrile Openeye Name: 2-[2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxo-ethyl]-5,6-dimethyl-3-oxo-pyridazine-4-carbonitrile CAS Name: 2-[2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-2-oxoethyl]-5,6-dimethyl-3-oxo-4-pyridazinecarbonitrile IUPAC Name: 2-[2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxoethyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile Traditional Name: 2-[2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-2-keto-ethyl]-3-keto-5,6-dimethyl-pyridazine-4-carbonitrile Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1C)CC(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4)C#N

Isomeric SMILES

CC1=C(C(=O)N(N=C1C)CC(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4)C#N

InChI

InChI=1S/C22H24N4O4/c1-14-15(2)24-26(22(28)17(14)12-23)13-21(27)25-8-3-5-18(25)16-6-7-19-20(11-16)30-10-4-9-29-19/h6-7,11,18H,3-5,8-10,13H2,1-2H3