3-[2,4-bis(dimethylamino)phenyl]-3-(4-pyrrolidin-1-ylphenyl)-2-benzofuran-1-one

Systemtic Name: 3-[2,4-bis(dimethylamino)phenyl]-3-(4-pyrrolidin-1-ylphenyl)-2-benzofuran-1-one Openeye Name: 3-[2,4-bis(dimethylamino)phenyl]-3-(4-pyrrolidin-1-ylphenyl)isobenzofuran-1-one CAS Name: 3-[2,4-bis(dimethylamino)phenyl]-3-[4-(1-pyrrolidinyl)phenyl]-1-isobenzofuranone IUPAC Name: 3-[2,4-bis(dimethylamino)phenyl]-3-(4-pyrrolidin-1-ylphenyl)-2-benzofuran-1-one Traditional Name: 3-[2,4-bis(dimethylamino)phenyl]-3-(4-pyrrolidinophenyl)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=CC=CC=C3C(=O)O2)C4=CC=C(C=C4)N5CCCC5)N(C)C

Isomeric SMILES

CN(C)C1=CC(=C(C=C1)C2(C3=CC=CC=C3C(=O)O2)C4=CC=C(C=C4)N5CCCC5)N(C)C

InChI

InChI=1S/C28H31N3O2/c1-29(2)22-15-16-25(26(19-22)30(3)4)28(24-10-6-5-9-23(24)27(32)33-28)20-11-13-21(14-12-20)31-17-7-8-18-31/h5-6,9-16,19H,7-8,17-18H2,1-4H3