3-[(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]-1H-quinazoline-2,4-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=C(C=C2)F)N3C(=O)C4=CC=CC=C4NC3=O

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)C2=CC=C(C=C2)F)N3C(=O)C4=CC=CC=C4NC3=O

InChI

InChI=1S/C21H21FN4O3/c1-14(26-20(28)17-4-2-3-5-18(17)23-21(26)29)19(27)25-12-10-24(11-13-25)16-8-6-15(22)7-9-16/h2-9,14H,10-13H2,1H3,(H,23,29)/t14-/m0/s1