3-methyl-1-(1-oxidanylidene-3H-2-benzofuran-5-yl)-4-[4-(4-propanoylpiperazin-1-yl)butyl]pyrrole-2,5-dione

Systemtic Name: 3-methyl-1-(1-oxidanylidene-3H-2-benzofuran-5-yl)-4-[4-(4-propanoylpiperazin-1-yl)butyl]pyrrole-2,5-dione Openeye Name: 3-methyl-1-(1-oxo-3H-isobenzofuran-5-yl)-4-[4-(4-propanoylpiperazin-1-yl)butyl]pyrrole-2,5-dione CAS Name: 3-methyl-1-(1-oxo-3H-isobenzofuran-5-yl)-4-[4-[4-(1-oxopropyl)-1-piperazinyl]butyl]pyrrole-2,5-dione IUPAC Name: 3-methyl-1-(1-oxo-3H-2-benzofuran-5-yl)-4-[4-(4-propanoylpiperazin-1-yl)butyl]pyrrole-2,5-dione Traditional Name: 1-(1-ketophthalan-5-yl)-3-methyl-4-[4-(4-propionylpiperazino)butyl]-3-pyrroline-2,5-quinone Formula: C24H29N3O5 MolecularWeight: 439.50416

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)CCCCC2=C(C(=O)N(C2=O)C3=CC4=C(C=C3)C(=O)OC4)C

Isomeric SMILES

CCC(=O)N1CCN(CC1)CCCCC2=C(C(=O)N(C2=O)C3=CC4=C(C=C3)C(=O)OC4)C

InChI

InChI=1S/C24H29N3O5/c1-3-21(28)26-12-10-25(11-13-26)9-5-4-6-19-16(2)22(29)27(23(19)30)18-7-8-20-17(14-18)15-32-24(20)31/h7-8,14H,3-6,9-13,15H2,1-2H3