ethyl 1-[(2-oxidanylidene-1H-pyrazin-3-yl)methyl]-4-phenethyl-piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2-oxidanylidene-1H-pyrazin-3-yl)methyl]-4-phenethyl-piperidine-4-carboxylate Openeye Name: ethyl 1-[(2-oxo-1H-pyrazin-3-yl)methyl]-4-phenethyl-piperidine-4-carboxylate CAS Name: 1-[(2-oxo-1H-pyrazin-3-yl)methyl]-4-phenethyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-oxo-1H-pyrazin-3-yl)methyl]-4-phenethylpiperidine-4-carboxylate Traditional Name: 1-[(2-keto-1H-pyrazin-3-yl)methyl]-4-phenethyl-isonipecotic acid ethyl ester Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=NC=CNC2=O)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=NC=CNC2=O)CCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3/c1-2-27-20(26)21(9-8-17-6-4-3-5-7-17)10-14-24(15-11-21)16-18-19(25)23-13-12-22-18/h3-7,12-13H,2,8-11,14-16H2,1H3,(H,23,25)