3,3-bis(4-dimethylaminophenyl)-6-pyrrolidin-1-yl-2-benzofuran-1-one

Systemtic Name: 3,3-bis(4-dimethylaminophenyl)-6-pyrrolidin-1-yl-2-benzofuran-1-one Openeye Name: 3,3-bis(4-dimethylaminophenyl)-6-pyrrolidin-1-yl-isobenzofuran-1-one CAS Name: 3,3-bis(4-dimethylaminophenyl)-6-(1-pyrrolidinyl)-1-isobenzofuranone IUPAC Name: 3,3-bis(4-dimethylaminophenyl)-6-pyrrolidin-1-yl-2-benzofuran-1-one Traditional Name: 3,3-bis(4-dimethylaminophenyl)-6-pyrrolidino-phthalide Formula: C28H31N3O2 MolecularWeight: 441.56464

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2(C3=C(C=C(C=C3)N4CCCC4)C(=O)O2)C5=CC=C(C=C5)N(C)C

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2(C3=C(C=C(C=C3)N4CCCC4)C(=O)O2)C5=CC=C(C=C5)N(C)C

InChI

InChI=1S/C28H31N3O2/c1-29(2)22-11-7-20(8-12-22)28(21-9-13-23(14-10-21)30(3)4)26-16-15-24(31-17-5-6-18-31)19-25(26)27(32)33-28/h7-16,19H,5-6,17-18H2,1-4H3