ethyl 1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]piperidine-3-carboxylate CAS Name: 1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]piperidine-3-carboxylate Traditional Name: 1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]nipecotic acid ethyl ester Formula: C17H19ClN4O2 MolecularWeight: 346.81136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=NC(=CN=N2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=NC(=CN=N2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H19ClN4O2/c1-2-24-16(23)13-4-3-9-22(11-13)17-20-15(10-19-21-17)12-5-7-14(18)8-6-12/h5-8,10,13H,2-4,9,11H2,1H3