2-[3-(4-nitrophenyl)-5-phenyl-1,2,4-triazol-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[3-(4-nitrophenyl)-5-phenyl-1,2,4-triazol-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[3-(4-nitrophenyl)-5-phenyl-1,2,4-triazol-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[3-(4-nitrophenyl)-5-phenyl-1,2,4-triazol-1-yl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[3-(4-nitrophenyl)-5-phenyl-1,2,4-triazol-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[3-(4-nitrophenyl)-5-phenyl-1,2,4-triazol-1-yl]-1-piperidino-ethanone Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CN2C(=NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)CN2C(=NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H21N5O3/c27-19(24-13-5-2-6-14-24)15-25-21(17-7-3-1-4-8-17)22-20(23-25)16-9-11-18(12-10-16)26(28)29/h1,3-4,7-12H,2,5-6,13-15H2