4-[(3-methoxy-4-phenylmethoxy-phenyl)methyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile

Systemtic Name: 4-[(3-methoxy-4-phenylmethoxy-phenyl)methyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile Openeye Name: 4-[(4-benzyloxy-3-methoxy-phenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile CAS Name: 4-[(3-methoxy-4-phenylmethoxyphenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile IUPAC Name: 4-[(3-methoxy-4-phenylmethoxyphenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile Traditional Name: 4-[(4-benzoxy-3-methoxy-benzyl)-(1,2,4-triazol-4-yl)amino]benzonitrile Formula: C24H21N5O2 MolecularWeight: 411.45584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN(C2=CC=C(C=C2)C#N)N3C=NN=C3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)CN(C2=CC=C(C=C2)C#N)N3C=NN=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C24H21N5O2/c1-30-24-13-21(9-12-23(24)31-16-20-5-3-2-4-6-20)15-29(28-17-26-27-18-28)22-10-7-19(14-25)8-11-22/h2-13,17-18H,15-16H2,1H3