(2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl) 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: (2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl) 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: [2-oxo-1-phenyl-2-(1-piperidyl)ethyl] 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-oxo-1-phenyl-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid (2-keto-1-phenyl-2-piperidino-ethyl) ester Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O3/c27-21(25-13-5-2-6-14-25)20(17-7-3-1-4-8-17)29-22(28)18-9-11-19(12-10-18)26-16-23-15-24-26/h1,3-4,7-12,15-16,20H,2,5-6,13-14H2