5-(4-nitrophenyl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazole

Systemtic Name: 5-(4-nitrophenyl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazole Openeye Name: 5-(4-nitrophenyl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazole CAS Name: 5-(4-nitrophenyl)-3-[3-(1-pyrrolidinylmethyl)phenyl]-1H-1,2,4-triazole IUPAC Name: 5-(4-nitrophenyl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazole Traditional Name: 5-(4-nitrophenyl)-3-[3-(pyrrolidinomethyl)phenyl]-1H-1,2,4-triazole Formula: C19H19N5O2 MolecularWeight: 349.38646

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=CC(=C2)C3=NNC(=N3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)CC2=CC=CC(=C2)C3=NNC(=N3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O2/c25-24(26)17-8-6-15(7-9-17)18-20-19(22-21-18)16-5-3-4-14(12-16)13-23-10-1-2-11-23/h3-9,12H,1-2,10-11,13H2,(H,20,21,22)