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

Systemtic Name: 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-4H-isoquinoline-1,3-dione Openeye Name: 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxo-propyl]-4H-isoquinoline-1,3-dione CAS Name: 2-[3-[4-(4-fluorophenyl)-1-piperazinyl]-3-oxopropyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-4H-isoquinoline-1,3-dione Traditional Name: 2-[3-[4-(4-fluorophenyl)piperazino]-3-keto-propyl]-4H-isoquinoline-1,3-quinone Formula: C22H22FN3O3 MolecularWeight: 395.426783

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CCN3C(=O)CC4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CCN3C(=O)CC4=CC=CC=C4C3=O

InChI

InChI=1S/C22H22FN3O3/c23-17-5-7-18(8-6-17)24-11-13-25(14-12-24)20(27)9-10-26-21(28)15-16-3-1-2-4-19(16)22(26)29/h1-8H,9-15H2