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

Systemtic Name: 2-[(4-phenoxyphenyl)methyl]-5-(3-pyrrolidin-1-ylpropyl)-3H-isoindol-1-one Openeye Name: 2-[(4-phenoxyphenyl)methyl]-5-(3-pyrrolidin-1-ylpropyl)isoindolin-1-one CAS Name: 2-[(4-phenoxyphenyl)methyl]-5-[3-(1-pyrrolidinyl)propyl]-3H-isoindol-1-one IUPAC Name: 2-[(4-phenoxyphenyl)methyl]-5-(3-pyrrolidin-1-ylpropyl)-3H-isoindol-1-one Traditional Name: 2-(4-phenoxybenzyl)-5-(3-pyrrolidinopropyl)isoindolin-1-one Formula: C28H30N2O2 MolecularWeight: 426.55

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCC2=CC3=C(C=C2)C(=O)N(C3)CC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)CCCC2=CC3=C(C=C2)C(=O)N(C3)CC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C28H30N2O2/c31-28-27-15-12-22(7-6-18-29-16-4-5-17-29)19-24(27)21-30(28)20-23-10-13-26(14-11-23)32-25-8-2-1-3-9-25/h1-3,8-15,19H,4-7,16-18,20-21H2