ethyl 4-[(4-chlorophenyl)methyl]-1-(3-pyrazin-2-ylpropanoyl)piperidine-4-carboxylate

Systemtic Name: ethyl 4-[(4-chlorophenyl)methyl]-1-(3-pyrazin-2-ylpropanoyl)piperidine-4-carboxylate Openeye Name: ethyl 4-[(4-chlorophenyl)methyl]-1-(3-pyrazin-2-ylpropanoyl)piperidine-4-carboxylate CAS Name: 4-[(4-chlorophenyl)methyl]-1-[1-oxo-3-(2-pyrazinyl)propyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-chlorophenyl)methyl]-1-(3-pyrazin-2-ylpropanoyl)piperidine-4-carboxylate Traditional Name: 4-(4-chlorobenzyl)-1-(3-pyrazin-2-ylpropanoyl)isonipecotic acid ethyl ester Formula: C22H26ClN3O3 MolecularWeight: 415.91314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)CCC2=NC=CN=C2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)CCC2=NC=CN=C2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H26ClN3O3/c1-2-29-21(28)22(15-17-3-5-18(23)6-4-17)9-13-26(14-10-22)20(27)8-7-19-16-24-11-12-25-19/h3-6,11-12,16H,2,7-10,13-15H2,1H3