2-[3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazol-5-yl]-N-(pyridin-4-ylmethyl)aniline

Systemtic Name: 2-[3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazol-5-yl]-N-(pyridin-4-ylmethyl)aniline Openeye Name: 2-[3-(4-benzyloxyphenyl)-1H-1,2,4-triazol-5-yl]-N-(4-pyridylmethyl)aniline CAS Name: 2-[3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazol-5-yl]-N-(pyridin-4-ylmethyl)aniline IUPAC Name: 2-[3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazol-5-yl]-N-(pyridin-4-ylmethyl)aniline Traditional Name: [2-[3-(4-benzoxyphenyl)-1H-1,2,4-triazol-5-yl]phenyl]-(4-pyridylmethyl)amine Formula: C27H23N5O MolecularWeight: 433.50442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NNC(=N3)C4=CC=CC=C4NCC5=CC=NC=C5

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NNC(=N3)C4=CC=CC=C4NCC5=CC=NC=C5

InChI

InChI=1S/C27H23N5O/c1-2-6-21(7-3-1)19-33-23-12-10-22(11-13-23)26-30-27(32-31-26)24-8-4-5-9-25(24)29-18-20-14-16-28-17-15-20/h1-17,29H,18-19H2,(H,30,31,32)