4-[bis(4-phenylmethoxyphenyl)methyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile

Systemtic Name: 4-[bis(4-phenylmethoxyphenyl)methyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile Openeye Name: 4-[bis(4-benzyloxyphenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile CAS Name: 4-[bis(4-phenylmethoxyphenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile IUPAC Name: 4-[bis(4-phenylmethoxyphenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile Traditional Name: 4-[bis(4-benzoxyphenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile Formula: C36H29N5O2 MolecularWeight: 563.64776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(C3=CC=C(C=C3)OCC4=CC=CC=C4)N(C5=CC=C(C=C5)C#N)N6C=NN=C6

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(C3=CC=C(C=C3)OCC4=CC=CC=C4)N(C5=CC=C(C=C5)C#N)N6C=NN=C6

InChI

InChI=1S/C36H29N5O2/c37-23-28-11-17-33(18-12-28)41(40-26-38-39-27-40)36(31-13-19-34(20-14-31)42-24-29-7-3-1-4-8-29)32-15-21-35(22-16-32)43-25-30-9-5-2-6-10-30/h1-22,26-27,36H,24-25H2