2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-4H-isoquinoline-1,3-dione

Systemtic Name: 2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-4H-isoquinoline-1,3-dione Openeye Name: 2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxo-propyl]-4H-isoquinoline-1,3-dione CAS Name: 2-[3-[4-(2-ethoxyphenyl)-1-piperazinyl]-3-oxopropyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-4H-isoquinoline-1,3-dione Traditional Name: 2-[3-keto-3-(4-o-phenetylpiperazino)propyl]-4H-isoquinoline-1,3-quinone Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)CCN3C(=O)CC4=CC=CC=C4C3=O

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)CCN3C(=O)CC4=CC=CC=C4C3=O

InChI

InChI=1S/C24H27N3O4/c1-2-31-21-10-6-5-9-20(21)25-13-15-26(16-14-25)22(28)11-12-27-23(29)17-18-7-3-4-8-19(18)24(27)30/h3-10H,2,11-17H2,1H3