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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C2=NC(=NN2)C3=CC(=CC=C3)CN4CCCC4

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C2=NC(=NN2)C3=CC(=CC=C3)CN4CCCC4

InChI

InChI=1S/C22H26N4O/c1-16(2)27-20-10-8-18(9-11-20)21-23-22(25-24-21)19-7-5-6-17(14-19)15-26-12-3-4-13-26/h5-11,14,16H,3-4,12-13,15H2,1-2H3,(H,23,24,25)