3-[2,4-bis(dimethylamino)phenyl]-3-(2-methoxy-4-piperidin-1-yl-phenyl)-2-benzofuran-1-one; 3-[2,4-bis(dimethylamino)phenyl]-3-(2-methoxy-4-pyrrolidin-1-yl-phenyl)-2-benzofuran-1-one

Systemtic Name: 3-[2,4-bis(dimethylamino)phenyl]-3-(2-methoxy-4-piperidin-1-yl-phenyl)-2-benzofuran-1-one; 3-[2,4-bis(dimethylamino)phenyl]-3-(2-methoxy-4-pyrrolidin-1-yl-phenyl)-2-benzofuran-1-one Openeye Name: 3-[2,4-bis(dimethylamino)phenyl]-3-[2-methoxy-4-(1-piperidyl)phenyl]isobenzofuran-1-one; 3-[2,4-bis(dimethylamino)phenyl]-3-(2-methoxy-4-pyrrolidin-1-yl-phenyl)isobenzofuran-1-one CAS Name: 3-[2,4-bis(dimethylamino)phenyl]-3-[2-methoxy-4-(1-piperidinyl)phenyl]-1-isobenzofuranone; 3-[2,4-bis(dimethylamino)phenyl]-3-[2-methoxy-4-(1-pyrrolidinyl)phenyl]-1-isobenzofuranone IUPAC Name: 3-[2,4-bis(dimethylamino)phenyl]-3-(2-methoxy-4-piperidin-1-ylphenyl)-2-benzofuran-1-one; 3-[2,4-bis(dimethylamino)phenyl]-3-(2-methoxy-4-pyrrolidin-1-ylphenyl)-2-benzofuran-1-one Traditional Name: 3-[2,4-bis(dimethylamino)phenyl]-3-(2-methoxy-4-piperidino-phenyl)phthalide; 3-[2,4-bis(dimethylamino)phenyl]-3-(2-methoxy-4-pyrrolidino-phenyl)phthalide Formula: C59H68N6O6 MolecularWeight: 957.20782

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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=C(C=C(C=C4)N5CCCCC5)OC)N(C)C.CN(C)C1=CC(=C(C=C1)C2(C3=CC=CC=C3C(=O)O2)C4=C(C=C(C=C4)N5CCCC5)OC)N(C)C

Isomeric SMILES

CN(C)C1=CC(=C(C=C1)C2(C3=CC=CC=C3C(=O)O2)C4=C(C=C(C=C4)N5CCCCC5)OC)N(C)C.CN(C)C1=CC(=C(C=C1)C2(C3=CC=CC=C3C(=O)O2)C4=C(C=C(C=C4)N5CCCC5)OC)N(C)C

InChI

InChI=1S/C30H35N3O3.C29H33N3O3/c1-31(2)21-13-15-25(27(19-21)32(3)4)30(24-12-8-7-11-23(24)29(34)36-30)26-16-14-22(20-28(26)35-5)33-17-9-6-10-18-33;1-30(2)20-12-14-24(26(18-20)31(3)4)29(23-11-7-6-10-22(23)28(33)35-29)25-15-13-21(19-27(25)34-5)32-16-8-9-17-32/h7-8,11-16,19-20H,6,9-10,17-18H2,1-5H3;6-7,10-15,18-19H,8-9,16-17H2,1-5H3