4-[4-(4-phenylmethoxyphenoxy)butyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile

Systemtic Name: 4-[4-(4-phenylmethoxyphenoxy)butyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile Openeye Name: 4-[4-(4-benzyloxyphenoxy)butyl-(1,2,4-triazol-4-yl)amino]benzonitrile CAS Name: 4-[4-(4-phenylmethoxyphenoxy)butyl-(1,2,4-triazol-4-yl)amino]benzonitrile IUPAC Name: 4-[4-(4-phenylmethoxyphenoxy)butyl-(1,2,4-triazol-4-yl)amino]benzonitrile Traditional Name: 4-[4-(4-benzoxyphenoxy)butyl-(1,2,4-triazol-4-yl)amino]benzonitrile Formula: C26H25N5O2 MolecularWeight: 439.509

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)OCCCCN(C3=CC=C(C=C3)C#N)N4C=NN=C4

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)OCCCCN(C3=CC=C(C=C3)C#N)N4C=NN=C4

InChI

InChI=1S/C26H25N5O2/c27-18-22-8-10-24(11-9-22)31(30-20-28-29-21-30)16-4-5-17-32-25-12-14-26(15-13-25)33-19-23-6-2-1-3-7-23/h1-3,6-15,20-21H,4-5,16-17,19H2