phenyl 2-(2-azanylethylcarbamoyl)-4-(4-fluorophenyl)carbonyl-piperazine-1-carboxylate

Systemtic Name: phenyl 2-(2-azanylethylcarbamoyl)-4-(4-fluorophenyl)carbonyl-piperazine-1-carboxylate Openeye Name: phenyl 2-(2-aminoethylcarbamoyl)-4-(4-fluorobenzoyl)piperazine-1-carboxylate CAS Name: 2-[(2-aminoethylamino)-oxomethyl]-4-[(4-fluorophenyl)-oxomethyl]-1-piperazinecarboxylic acid phenyl ester IUPAC Name: phenyl 2-(2-aminoethylcarbamoyl)-4-(4-fluorobenzoyl)piperazine-1-carboxylate Traditional Name: 2-(2-aminoethylcarbamoyl)-4-(4-fluorobenzoyl)piperazine-1-carboxylic acid phenyl ester Formula: C21H23FN4O4 MolecularWeight: 414.430123

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C(=O)C2=CC=C(C=C2)F)C(=O)NCCN)C(=O)OC3=CC=CC=C3

Isomeric SMILES

C1CN(C(CN1C(=O)C2=CC=C(C=C2)F)C(=O)NCCN)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C21H23FN4O4/c22-16-8-6-15(7-9-16)20(28)25-12-13-26(18(14-25)19(27)24-11-10-23)21(29)30-17-4-2-1-3-5-17/h1-9,18H,10-14,23H2,(H,24,27)