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

Systemtic Name: 2-[3-(4-nitrophenyl)-5-phenyl-1,2,4-triazol-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[3-(4-nitrophenyl)-5-phenyl-1,2,4-triazol-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[3-(4-nitrophenyl)-5-phenyl-1,2,4-triazol-1-yl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[3-(4-nitrophenyl)-5-phenyl-1,2,4-triazol-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[3-(4-nitrophenyl)-5-phenyl-1,2,4-triazol-1-yl]-1-pyrrolidino-ethanone Formula: C20H19N5O3 MolecularWeight: 377.39656

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CN2C(=NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)CN2C(=NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C20H19N5O3/c26-18(23-12-4-5-13-23)14-24-20(16-6-2-1-3-7-16)21-19(22-24)15-8-10-17(11-9-15)25(27)28/h1-3,6-11H,4-5,12-14H2