2-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4H-isoquinoline-1,3-dione

Systemtic Name: 2-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4H-isoquinoline-1,3-dione Openeye Name: 2-[2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]-4H-isoquinoline-1,3-dione CAS Name: 2-[2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-2-oxoethyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-4H-isoquinoline-1,3-dione Traditional Name: 2-[2-[4-(coumaran-5-ylmethyl)piperazino]-2-keto-ethyl]-4H-isoquinoline-1,3-quinone Formula: C24H25N3O4 MolecularWeight: 419.473

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)CN4C(=O)CC5=CC=CC=C5C4=O

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)CN4C(=O)CC5=CC=CC=C5C4=O

InChI

InChI=1S/C24H25N3O4/c28-22-14-18-3-1-2-4-20(18)24(30)27(22)16-23(29)26-10-8-25(9-11-26)15-17-5-6-21-19(13-17)7-12-31-21/h1-6,13H,7-12,14-16H2