2-[2-(3-methoxyphenyl)ethyl]-4-(4-propanoylpiperazin-1-yl)isoindole-1,3-dione

Systemtic Name: 2-[2-(3-methoxyphenyl)ethyl]-4-(4-propanoylpiperazin-1-yl)isoindole-1,3-dione Openeye Name: 2-[2-(3-methoxyphenyl)ethyl]-4-(4-propanoylpiperazin-1-yl)isoindoline-1,3-dione CAS Name: 2-[2-(3-methoxyphenyl)ethyl]-4-[4-(1-oxopropyl)-1-piperazinyl]isoindole-1,3-dione IUPAC Name: 2-[2-(3-methoxyphenyl)ethyl]-4-(4-propanoylpiperazin-1-yl)isoindole-1,3-dione Traditional Name: 2-[2-(3-methoxyphenyl)ethyl]-4-(4-propionylpiperazino)isoindoline-1,3-quinone Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=CC=CC3=C2C(=O)N(C3=O)CCC4=CC(=CC=C4)OC

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=CC=CC3=C2C(=O)N(C3=O)CCC4=CC(=CC=C4)OC

InChI

InChI=1S/C24H27N3O4/c1-3-21(28)26-14-12-25(13-15-26)20-9-5-8-19-22(20)24(30)27(23(19)29)11-10-17-6-4-7-18(16-17)31-2/h4-9,16H,3,10-15H2,1-2H3