5-[3-(dimethylamino)propyl]-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one

Systemtic Name: 5-[3-(dimethylamino)propyl]-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one Openeye Name: 5-[3-(dimethylamino)propyl]-2-[(4-phenoxyphenyl)methyl]isoindolin-1-one CAS Name: 5-[3-(dimethylamino)propyl]-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one IUPAC Name: 5-[3-(dimethylamino)propyl]-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one Traditional Name: 5-[3-(dimethylamino)propyl]-2-(4-phenoxybenzyl)isoindolin-1-one Formula: C26H28N2O2 MolecularWeight: 400.51272

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCC1=CC2=C(C=C1)C(=O)N(C2)CC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CN(C)CCCC1=CC2=C(C=C1)C(=O)N(C2)CC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C26H28N2O2/c1-27(2)16-6-7-20-12-15-25-22(17-20)19-28(26(25)29)18-21-10-13-24(14-11-21)30-23-8-4-3-5-9-23/h3-5,8-15,17H,6-7,16,18-19H2,1-2H3