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

Systemtic Name: 2-[(1R)-1-(3,4-dimethoxyphenyl)-4-phenylazanyl-butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one Openeye Name: 2-[(1R)-4-anilino-1-(3,4-dimethoxyphenyl)butyl]-4-(4-ethylpiperazin-1-yl)isoindolin-1-one CAS Name: 2-[(1R)-4-anilino-1-(3,4-dimethoxyphenyl)butyl]-4-(4-ethyl-1-piperazinyl)-3H-isoindol-1-one IUPAC Name: 2-[(1R)-4-anilino-1-(3,4-dimethoxyphenyl)butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one Traditional Name: 2-[(1R)-4-anilino-1-(3,4-dimethoxyphenyl)butyl]-4-(4-ethylpiperazino)isoindolin-1-one Formula: C32H40N4O3 MolecularWeight: 528.685

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC=CC3=C2CN(C3=O)C(CCCNC4=CC=CC=C4)C5=CC(=C(C=C5)OC)OC

Isomeric SMILES

CCN1CCN(CC1)C2=CC=CC3=C2CN(C3=O)[C@H](CCCNC4=CC=CC=C4)C5=CC(=C(C=C5)OC)OC

InChI

InChI=1S/C32H40N4O3/c1-4-34-18-20-35(21-19-34)29-13-8-12-26-27(29)23-36(32(26)37)28(14-9-17-33-25-10-6-5-7-11-25)24-15-16-30(38-2)31(22-24)39-3/h5-8,10-13,15-16,22,28,33H,4,9,14,17-21,23H2,1-3H3/t28-/m1/s1