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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CCN(CC2=CC=C(C=C2)F)C(=O)C3=NC=CN=C3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CCN(CC2=CC=C(C=C2)F)C(=O)C3=NC=CN=C3

InChI

InChI=1S/C23H27FN4O4/c1-2-32-23(31)18-4-3-12-27(16-18)21(29)9-13-28(15-17-5-7-19(24)8-6-17)22(30)20-14-25-10-11-26-20/h5-8,10-11,14,18H,2-4,9,12-13,15-16H2,1H3