6-chloranyl-4-[2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-1,4-benzoxazin-3-one

Systemtic Name: 6-chloranyl-4-[2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-1,4-benzoxazin-3-one Openeye Name: 6-chloro-4-[2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxo-ethyl]-1,4-benzoxazin-3-one CAS Name: 6-chloro-4-[2-[2-(3,4-dimethoxyphenyl)-1-pyrrolidinyl]-2-oxoethyl]-1,4-benzoxazin-3-one IUPAC Name: 6-chloro-4-[2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one Traditional Name: 6-chloro-4-[2-[2-(3,4-dimethoxyphenyl)pyrrolidino]-2-keto-ethyl]-1,4-benzoxazin-3-one Formula: C22H23ClN2O5 MolecularWeight: 430.88142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CCCN2C(=O)CN3C(=O)COC4=C3C=C(C=C4)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CCCN2C(=O)CN3C(=O)COC4=C3C=C(C=C4)Cl)OC

InChI

InChI=1S/C22H23ClN2O5/c1-28-19-7-5-14(10-20(19)29-2)16-4-3-9-24(16)21(26)12-25-17-11-15(23)6-8-18(17)30-13-22(25)27/h5-8,10-11,16H,3-4,9,12-13H2,1-2H3