5-methyl-2-[4-oxidanylidene-4-[4-(2-phenoxyethyl)piperazin-1-yl]butyl]isoindole-1,3-dione

Systemtic Name: 5-methyl-2-[4-oxidanylidene-4-[4-(2-phenoxyethyl)piperazin-1-yl]butyl]isoindole-1,3-dione Openeye Name: 5-methyl-2-[4-oxo-4-[4-(2-phenoxyethyl)piperazin-1-yl]butyl]isoindoline-1,3-dione CAS Name: 5-methyl-2-[4-oxo-4-[4-(2-phenoxyethyl)-1-piperazinyl]butyl]isoindole-1,3-dione IUPAC Name: 5-methyl-2-[4-oxo-4-[4-(2-phenoxyethyl)piperazin-1-yl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-keto-4-[4-(2-phenoxyethyl)piperazino]butyl]-5-methyl-isoindoline-1,3-quinone Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)N3CCN(CC3)CCOC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)N3CCN(CC3)CCOC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O4/c1-19-9-10-21-22(18-19)25(31)28(24(21)30)11-5-8-23(29)27-14-12-26(13-15-27)16-17-32-20-6-3-2-4-7-20/h2-4,6-7,9-10,18H,5,8,11-17H2,1H3