1-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]cinnolin-4-one

Systemtic Name: 1-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]cinnolin-4-one Openeye Name: 1-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxo-ethyl]cinnolin-4-one CAS Name: 1-[2-[(2R)-2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]-2-oxoethyl]-4-cinnolinone IUPAC Name: 1-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]cinnolin-4-one Traditional Name: 1-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidino]-2-keto-ethyl]cinnolin-4-one Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CCCN2C(=O)CN3C4=CC=CC=C4C(=O)C=N3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)[C@H]2CCCN2C(=O)CN3C4=CC=CC=C4C(=O)C=N3

InChI

InChI=1S/C22H23N3O4/c1-28-15-9-10-21(29-2)17(12-15)18-8-5-11-24(18)22(27)14-25-19-7-4-3-6-16(19)20(26)13-23-25/h3-4,6-7,9-10,12-13,18H,5,8,11,14H2,1-2H3/t18-/m1/s1