3-[4-(diethylamino)-2-methyl-phenyl]-3-(4-dimethylaminophenyl)-6-pyrrolidin-1-yl-2-benzofuran-1-one

Systemtic Name: 3-[4-(diethylamino)-2-methyl-phenyl]-3-(4-dimethylaminophenyl)-6-pyrrolidin-1-yl-2-benzofuran-1-one Openeye Name: 3-[4-(diethylamino)-2-methyl-phenyl]-3-(4-dimethylaminophenyl)-6-pyrrolidin-1-yl-isobenzofuran-1-one CAS Name: 3-[4-(diethylamino)-2-methylphenyl]-3-(4-dimethylaminophenyl)-6-(1-pyrrolidinyl)-1-isobenzofuranone IUPAC Name: 3-[4-(diethylamino)-2-methylphenyl]-3-(4-dimethylaminophenyl)-6-pyrrolidin-1-yl-2-benzofuran-1-one Traditional Name: 3-[4-(diethylamino)-2-methyl-phenyl]-3-(4-dimethylaminophenyl)-6-pyrrolidino-phthalide Formula: C31H37N3O2 MolecularWeight: 483.64438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H37N3O2/c1-6-33(7-2)25-14-16-28(22(3)20-25)31(23-10-12-24(13-11-23)32(4)5)29-17-15-26(34-18-8-9-19-34)21-27(29)30(35)36-31/h10-17,20-21H,6-9,18-19H2,1-5H3