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

Systemtic Name: 5-(4-methoxy-3-phenylmethoxy-phenyl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazole Openeye Name: 5-(3-benzyloxy-4-methoxy-phenyl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazole CAS Name: 5-(4-methoxy-3-phenylmethoxyphenyl)-3-[3-(1-pyrrolidinylmethyl)phenyl]-1H-1,2,4-triazole IUPAC Name: 5-(4-methoxy-3-phenylmethoxyphenyl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazole Traditional Name: 5-(3-benzoxy-4-methoxy-phenyl)-3-[3-(pyrrolidinomethyl)phenyl]-1H-1,2,4-triazole Formula: C27H28N4O2 MolecularWeight: 440.53682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=NN2)C3=CC(=CC=C3)CN4CCCC4)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=NN2)C3=CC(=CC=C3)CN4CCCC4)OCC5=CC=CC=C5

InChI

InChI=1S/C27H28N4O2/c1-32-24-13-12-23(17-25(24)33-19-20-8-3-2-4-9-20)27-28-26(29-30-27)22-11-7-10-21(16-22)18-31-14-5-6-15-31/h2-4,7-13,16-17H,5-6,14-15,18-19H2,1H3,(H,28,29,30)