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

Systemtic Name: 2-(4-methoxyphenyl)-5,6-dimethyl-3-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]-3H-isoindol-1-one Openeye Name: 2-(4-methoxyphenyl)-5,6-dimethyl-3-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]isoindolin-1-one CAS Name: 2-(4-methoxyphenyl)-5,6-dimethyl-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3H-isoindol-1-one IUPAC Name: 2-(4-methoxyphenyl)-5,6-dimethyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3H-isoindol-1-one Traditional Name: 3-[2-keto-2-(4-methylpiperazino)ethyl]-2-(4-methoxyphenyl)-5,6-dimethyl-isoindolin-1-one Formula: C24H29N3O3 MolecularWeight: 407.50536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(N(C2=O)C3=CC=C(C=C3)OC)CC(=O)N4CCN(CC4)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(N(C2=O)C3=CC=C(C=C3)OC)CC(=O)N4CCN(CC4)C)C

InChI

InChI=1S/C24H29N3O3/c1-16-13-20-21(14-17(16)2)24(29)27(18-5-7-19(30-4)8-6-18)22(20)15-23(28)26-11-9-25(3)10-12-26/h5-8,13-14,22H,9-12,15H2,1-4H3