3-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazine-1,4-dione

Systemtic Name: 3-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxo-ethyl]-2H-phthalazine-1,4-dione CAS Name: 3-[2-[4-[(2-fluorophenyl)methyl]-1-piperazinyl]-2-oxoethyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[2-[4-(2-fluorobenzyl)piperazino]-2-keto-ethyl]-2H-phthalazine-1,4-quinone Formula: C21H21FN4O3 MolecularWeight: 396.414843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2F)C(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2F)C(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C21H21FN4O3/c22-18-8-4-1-5-15(18)13-24-9-11-25(12-10-24)19(27)14-26-21(29)17-7-3-2-6-16(17)20(28)23-26/h1-8H,9-14H2,(H,23,28)