ethyl 4-[2-chloranyl-5-(1,2,4-triazol-4-yl)phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-chloranyl-5-(1,2,4-triazol-4-yl)phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-chloro-5-(1,2,4-triazol-4-yl)benzoyl]piperazine-1-carboxylate CAS Name: 4-[[2-chloro-5-(1,2,4-triazol-4-yl)phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-chloro-5-(1,2,4-triazol-4-yl)benzoyl]piperazine-1-carboxylate Traditional Name: 4-[2-chloro-5-(1,2,4-triazol-4-yl)benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H18ClN5O3 MolecularWeight: 363.79882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)N3C=NN=C3)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)N3C=NN=C3)Cl

InChI

InChI=1S/C16H18ClN5O3/c1-2-25-16(24)21-7-5-20(6-8-21)15(23)13-9-12(3-4-14(13)17)22-10-18-19-11-22/h3-4,9-11H,2,5-8H2,1H3