ethyl 4-[(4-chlorophenyl)methyl]-1-(5-methylpyrazin-2-yl)carbonyl-piperidine-4-carboxylate

Systemtic Name: ethyl 4-[(4-chlorophenyl)methyl]-1-(5-methylpyrazin-2-yl)carbonyl-piperidine-4-carboxylate Openeye Name: ethyl 4-[(4-chlorophenyl)methyl]-1-(5-methylpyrazine-2-carbonyl)piperidine-4-carboxylate CAS Name: 4-[(4-chlorophenyl)methyl]-1-[(5-methyl-2-pyrazinyl)-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-chlorophenyl)methyl]-1-(5-methylpyrazine-2-carbonyl)piperidine-4-carboxylate Traditional Name: 4-(4-chlorobenzyl)-1-(5-methylpyrazinoyl)isonipecotic acid ethyl ester Formula: C21H24ClN3O3 MolecularWeight: 401.88656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C2=CN=C(C=N2)C)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)C2=CN=C(C=N2)C)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H24ClN3O3/c1-3-28-20(27)21(12-16-4-6-17(22)7-5-16)8-10-25(11-9-21)19(26)18-14-23-15(2)13-24-18/h4-7,13-14H,3,8-12H2,1-2H3