ethyl 4-[(2-chlorophenyl)methyl]-1-[2-(3-methylpyrazol-1-yl)ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 4-[(2-chlorophenyl)methyl]-1-[2-(3-methylpyrazol-1-yl)ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 4-[(2-chlorophenyl)methyl]-1-[2-(3-methylpyrazol-1-yl)acetyl]piperidine-4-carboxylate CAS Name: 4-[(2-chlorophenyl)methyl]-1-[2-(3-methyl-1-pyrazolyl)-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-chlorophenyl)methyl]-1-[2-(3-methylpyrazol-1-yl)acetyl]piperidine-4-carboxylate Traditional Name: 4-(2-chlorobenzyl)-1-[2-(3-methylpyrazol-1-yl)acetyl]isonipecotic acid ethyl ester Formula: C21H26ClN3O3 MolecularWeight: 403.90244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)CN2C=CC(=N2)C)CC3=CC=CC=C3Cl

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)CN2C=CC(=N2)C)CC3=CC=CC=C3Cl

InChI

InChI=1S/C21H26ClN3O3/c1-3-28-20(27)21(14-17-6-4-5-7-18(17)22)9-12-24(13-10-21)19(26)15-25-11-8-16(2)23-25/h4-8,11H,3,9-10,12-15H2,1-2H3