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

Systemtic Name: ethyl 1-[3-[(4-fluorophenyl)methyl-pyrazin-2-ylcarbonyl-amino]propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-[(4-fluorophenyl)methyl-(pyrazine-2-carbonyl)amino]propanoyl]piperidine-4-carboxylate CAS Name: 1-[3-[(4-fluorophenyl)methyl-[oxo(2-pyrazinyl)methyl]amino]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(4-fluorophenyl)methyl-(pyrazine-2-carbonyl)amino]propanoyl]piperidine-4-carboxylate Traditional Name: 1-[3-[(4-fluorobenzyl)-pyrazinoyl-amino]propanoyl]isonipecotic acid ethyl ester Formula: C23H27FN4O4 MolecularWeight: 442.483283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CCN(CC2=CC=C(C=C2)F)C(=O)C3=NC=CN=C3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CCN(CC2=CC=C(C=C2)F)C(=O)C3=NC=CN=C3

InChI

InChI=1S/C23H27FN4O4/c1-2-32-23(31)18-7-12-27(13-8-18)21(29)9-14-28(16-17-3-5-19(24)6-4-17)22(30)20-15-25-10-11-26-20/h3-6,10-11,15,18H,2,7-9,12-14,16H2,1H3