ethyl 4-[3-[(4-fluorophenyl)methyl-pyrazin-2-ylcarbonyl-amino]propanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-[(4-fluorophenyl)methyl-pyrazin-2-ylcarbonyl-amino]propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-[(4-fluorophenyl)methyl-(pyrazine-2-carbonyl)amino]propanoyl]piperazine-1-carboxylate CAS Name: 4-[3-[(4-fluorophenyl)methyl-[oxo(2-pyrazinyl)methyl]amino]-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(4-fluorophenyl)methyl-(pyrazine-2-carbonyl)amino]propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-[(4-fluorobenzyl)-pyrazinoyl-amino]propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H26FN5O4 MolecularWeight: 443.471343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CCN(CC2=CC=C(C=C2)F)C(=O)C3=NC=CN=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CCN(CC2=CC=C(C=C2)F)C(=O)C3=NC=CN=C3

InChI

InChI=1S/C22H26FN5O4/c1-2-32-22(31)27-13-11-26(12-14-27)20(29)7-10-28(16-17-3-5-18(23)6-4-17)21(30)19-15-24-8-9-25-19/h3-6,8-9,15H,2,7,10-14,16H2,1H3