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

Systemtic Name: 3-[2,4-bis(dimethylamino)phenyl]-3-(4-piperidin-1-ylphenyl)-2-benzofuran-1-one Openeye Name: 3-[2,4-bis(dimethylamino)phenyl]-3-[4-(1-piperidyl)phenyl]isobenzofuran-1-one CAS Name: 3-[2,4-bis(dimethylamino)phenyl]-3-[4-(1-piperidinyl)phenyl]-1-isobenzofuranone IUPAC Name: 3-[2,4-bis(dimethylamino)phenyl]-3-(4-piperidin-1-ylphenyl)-2-benzofuran-1-one Traditional Name: 3-[2,4-bis(dimethylamino)phenyl]-3-(4-piperidinophenyl)phthalide Formula: C29H33N3O2 MolecularWeight: 455.59122

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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)N5CCCCC5)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C29H33N3O2/c1-30(2)23-16-17-26(27(20-23)31(3)4)29(25-11-7-6-10-24(25)28(33)34-29)21-12-14-22(15-13-21)32-18-8-5-9-19-32/h6-7,10-17,20H,5,8-9,18-19H2,1-4H3