2-[(1R)-1-(3,4-dimethoxyphenyl)-4-phenoxy-butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one

Systemtic Name: 2-[(1R)-1-(3,4-dimethoxyphenyl)-4-phenoxy-butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one Openeye Name: 2-[(1R)-1-(3,4-dimethoxyphenyl)-4-phenoxy-butyl]-4-(4-ethylpiperazin-1-yl)isoindolin-1-one CAS Name: 2-[(1R)-1-(3,4-dimethoxyphenyl)-4-phenoxybutyl]-4-(4-ethyl-1-piperazinyl)-3H-isoindol-1-one IUPAC Name: 2-[(1R)-1-(3,4-dimethoxyphenyl)-4-phenoxybutyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one Traditional Name: 2-[(1R)-1-(3,4-dimethoxyphenyl)-4-phenoxy-butyl]-4-(4-ethylpiperazino)isoindolin-1-one Formula: C32H39N3O4 MolecularWeight: 529.66976

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC=CC3=C2CN(C3=O)C(CCCOC4=CC=CC=C4)C5=CC(=C(C=C5)OC)OC

Isomeric SMILES

CCN1CCN(CC1)C2=CC=CC3=C2CN(C3=O)[C@H](CCCOC4=CC=CC=C4)C5=CC(=C(C=C5)OC)OC

InChI

InChI=1S/C32H39N3O4/c1-4-33-17-19-34(20-18-33)29-13-8-12-26-27(29)23-35(32(26)36)28(14-9-21-39-25-10-6-5-7-11-25)24-15-16-30(37-2)31(22-24)38-3/h5-8,10-13,15-16,22,28H,4,9,14,17-21,23H2,1-3H3/t28-/m1/s1