5-[3-(dimethylamino)pyrrolidin-1-yl]-7-methyl-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one

Systemtic Name: 5-[3-(dimethylamino)pyrrolidin-1-yl]-7-methyl-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one Openeye Name: 5-[3-(dimethylamino)pyrrolidin-1-yl]-7-methyl-2-[(4-phenoxyphenyl)methyl]isoindolin-1-one CAS Name: 5-[3-(dimethylamino)-1-pyrrolidinyl]-7-methyl-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one IUPAC Name: 5-[3-(dimethylamino)pyrrolidin-1-yl]-7-methyl-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one Traditional Name: 5-[3-(dimethylamino)pyrrolidino]-7-methyl-2-(4-phenoxybenzyl)isoindolin-1-one Formula: C28H31N3O2 MolecularWeight: 441.56464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)N3CCC(C3)N(C)C)CN(C2=O)CC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CC1=C2C(=CC(=C1)N3CCC(C3)N(C)C)CN(C2=O)CC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C28H31N3O2/c1-20-15-24(30-14-13-23(19-30)29(2)3)16-22-18-31(28(32)27(20)22)17-21-9-11-26(12-10-21)33-25-7-5-4-6-8-25/h4-12,15-16,23H,13-14,17-19H2,1-3H3