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

Systemtic Name: 3-(4-methoxyphenyl)-1-phenethyl-5-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-triazole Openeye Name: 3-(4-methoxyphenyl)-1-phenethyl-5-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-triazole CAS Name: 3-(4-methoxyphenyl)-1-phenethyl-5-[3-(1-pyrrolidinylmethyl)phenyl]-1,2,4-triazole IUPAC Name: 3-(4-methoxyphenyl)-1-phenethyl-5-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-triazole Traditional Name: 3-(4-methoxyphenyl)-1-phenethyl-5-[3-(pyrrolidinomethyl)phenyl]-1,2,4-triazole Formula: C28H30N4O MolecularWeight: 438.564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=N2)C3=CC(=CC=C3)CN4CCCC4)CCC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=N2)C3=CC(=CC=C3)CN4CCCC4)CCC5=CC=CC=C5

InChI

InChI=1S/C28H30N4O/c1-33-26-14-12-24(13-15-26)27-29-28(32(30-27)19-16-22-8-3-2-4-9-22)25-11-7-10-23(20-25)21-31-17-5-6-18-31/h2-4,7-15,20H,5-6,16-19,21H2,1H3