[2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethyl] 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethyl] 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: [2-oxo-2-[4-(1-piperidyl)anilino]ethyl] 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-oxo-2-[4-(1-piperidinyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-keto-2-(4-piperidinoanilino)ethyl] ester Formula: C22H23N5O3 MolecularWeight: 405.44972

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=C(C=C3)N4C=NC=N4

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=C(C=C3)N4C=NC=N4

InChI

InChI=1S/C22H23N5O3/c28-21(25-18-6-10-19(11-7-18)26-12-2-1-3-13-26)14-30-22(29)17-4-8-20(9-5-17)27-16-23-15-24-27/h4-11,15-16H,1-3,12-14H2,(H,25,28)