1-[(2S)-1-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]urea

Systemtic Name: 1-[(2S)-1-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]urea Openeye Name: [(1S)-2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]-1-benzyl-2-oxo-ethyl]urea CAS Name: [(2S)-1-[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]-1-oxo-3-phenylpropan-2-yl]urea IUPAC Name: [(2S)-1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea Traditional Name: [(1S)-2-[4-(4-acetyl-2-fluoro-phenyl)piperazino]-1-benzyl-2-keto-ethyl]urea Formula: C22H25FN4O3 MolecularWeight: 412.457303

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C(CC3=CC=CC=C3)NC(=O)N)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)[C@H](CC3=CC=CC=C3)NC(=O)N)F

InChI

InChI=1S/C22H25FN4O3/c1-15(28)17-7-8-20(18(23)14-17)26-9-11-27(12-10-26)21(29)19(25-22(24)30)13-16-5-3-2-4-6-16/h2-8,14,19H,9-13H2,1H3,(H3,24,25,30)/t19-/m0/s1