1-ethyl-5-(4-methoxyphenyl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-triazole

Systemtic Name: 1-ethyl-5-(4-methoxyphenyl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-triazole Openeye Name: 1-ethyl-5-(4-methoxyphenyl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-triazole CAS Name: 1-ethyl-5-(4-methoxyphenyl)-3-[3-(1-pyrrolidinylmethyl)phenyl]-1,2,4-triazole IUPAC Name: 1-ethyl-5-(4-methoxyphenyl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-triazole Traditional Name: 1-ethyl-5-(4-methoxyphenyl)-3-[3-(pyrrolidinomethyl)phenyl]-1,2,4-triazole Formula: C22H26N4O MolecularWeight: 362.46804

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC(=N1)C2=CC(=CC=C2)CN3CCCC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCN1C(=NC(=N1)C2=CC(=CC=C2)CN3CCCC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H26N4O/c1-3-26-22(18-9-11-20(27-2)12-10-18)23-21(24-26)19-8-6-7-17(15-19)16-25-13-4-5-14-25/h6-12,15H,3-5,13-14,16H2,1-2H3