N-(2-ethoxyphenyl)-2-[(2S)-1-(4-fluorophenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanamide

Systemtic Name: N-(2-ethoxyphenyl)-2-[(2S)-1-(4-fluorophenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanamide Openeye Name: N-(2-ethoxyphenyl)-2-[(2S)-1-(4-fluorobenzoyl)-3-oxo-piperazin-2-yl]acetamide CAS Name: N-(2-ethoxyphenyl)-2-[(2S)-1-[(4-fluorophenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetamide IUPAC Name: N-(2-ethoxyphenyl)-2-[(2S)-1-(4-fluorobenzoyl)-3-oxopiperazin-2-yl]acetamide Traditional Name: 2-[(2S)-1-(4-fluorobenzoyl)-3-keto-piperazin-2-yl]-N-o-phenetyl-acetamide Formula: C21H22FN3O4 MolecularWeight: 399.415483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)CC2C(=O)NCCN2C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C[C@H]2C(=O)NCCN2C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FN3O4/c1-2-29-18-6-4-3-5-16(18)24-19(26)13-17-20(27)23-11-12-25(17)21(28)14-7-9-15(22)10-8-14/h3-10,17H,2,11-13H2,1H3,(H,23,27)(H,24,26)/t17-/m0/s1