2-(4-ethoxyphenyl)-5,6-dimethyl-3-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]-3H-isoindol-1-one

Systemtic Name: 2-(4-ethoxyphenyl)-5,6-dimethyl-3-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]-3H-isoindol-1-one Openeye Name: 2-(4-ethoxyphenyl)-5,6-dimethyl-3-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]isoindolin-1-one CAS Name: 2-(4-ethoxyphenyl)-5,6-dimethyl-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3H-isoindol-1-one IUPAC Name: 2-(4-ethoxyphenyl)-5,6-dimethyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3H-isoindol-1-one Traditional Name: 3-[2-keto-2-(4-methylpiperazino)ethyl]-5,6-dimethyl-2-p-phenetyl-isoindolin-1-one Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(C3=CC(=C(C=C3C2=O)C)C)CC(=O)N4CCN(CC4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(C3=CC(=C(C=C3C2=O)C)C)CC(=O)N4CCN(CC4)C

InChI

InChI=1S/C25H31N3O3/c1-5-31-20-8-6-19(7-9-20)28-23(16-24(29)27-12-10-26(4)11-13-27)21-14-17(2)18(3)15-22(21)25(28)30/h6-9,14-15,23H,5,10-13,16H2,1-4H3