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

Systemtic Name: 5-chloranyl-2-(4-methoxyphenyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]-3H-isoindol-1-one Openeye Name: 5-chloro-2-(4-methoxyphenyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]isoindolin-1-one CAS Name: 5-chloro-2-(4-methoxyphenyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3H-isoindol-1-one IUPAC Name: 5-chloro-2-(4-methoxyphenyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3H-isoindol-1-one Traditional Name: 5-chloro-3-[2-keto-2-(4-methylpiperazino)ethyl]-2-(4-methoxyphenyl)isoindolin-1-one Formula: C22H24ClN3O3 MolecularWeight: 413.89726

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CC2C3=C(C=CC(=C3)Cl)C(=O)N2C4=CC=C(C=C4)OC

Isomeric SMILES

CN1CCN(CC1)C(=O)CC2C3=C(C=CC(=C3)Cl)C(=O)N2C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H24ClN3O3/c1-24-9-11-25(12-10-24)21(27)14-20-19-13-15(23)3-8-18(19)22(28)26(20)16-4-6-17(29-2)7-5-16/h3-8,13,20H,9-12,14H2,1-2H3