4-[[4-bromanyl-3-(oxan-2-yloxy)phenyl]methyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile

Systemtic Name: 4-[[4-bromanyl-3-(oxan-2-yloxy)phenyl]methyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile Openeye Name: 4-[(4-bromo-3-tetrahydropyran-2-yloxy-phenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile CAS Name: 4-[[4-bromo-3-(2-oxanyloxy)phenyl]methyl-(1,2,4-triazol-4-yl)amino]benzonitrile IUPAC Name: 4-[[4-bromo-3-(oxan-2-yloxy)phenyl]methyl-(1,2,4-triazol-4-yl)amino]benzonitrile Traditional Name: 4-[(4-bromo-3-tetrahydropyran-2-yloxy-benzyl)-(1,2,4-triazol-4-yl)amino]benzonitrile Formula: C21H20BrN5O2 MolecularWeight: 454.3198

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OC2=C(C=CC(=C2)CN(C3=CC=C(C=C3)C#N)N4C=NN=C4)Br

Isomeric SMILES

C1CCOC(C1)OC2=C(C=CC(=C2)CN(C3=CC=C(C=C3)C#N)N4C=NN=C4)Br

InChI

InChI=1S/C21H20BrN5O2/c22-19-9-6-17(11-20(19)29-21-3-1-2-10-28-21)13-27(26-14-24-25-15-26)18-7-4-16(12-23)5-8-18/h4-9,11,14-15,21H,1-3,10,13H2