4-(benzotriazol-1-yl)-5-[4-(2-phenylpropan-2-yl)phenoxy]benzene-1,2-dicarbonitrile

Systemtic Name: 4-(benzotriazol-1-yl)-5-[4-(2-phenylpropan-2-yl)phenoxy]benzene-1,2-dicarbonitrile Openeye Name: 4-(benzotriazol-1-yl)-5-[4-(1-methyl-1-phenyl-ethyl)phenoxy]phthalonitrile CAS Name: 4-(1-benzotriazolyl)-5-[4-(2-phenylpropan-2-yl)phenoxy]benzene-1,2-dicarbonitrile IUPAC Name: 4-(benzotriazol-1-yl)-5-[4-(2-phenylpropan-2-yl)phenoxy]benzene-1,2-dicarbonitrile Traditional Name: 4-(benzotriazol-1-yl)-5-(4-cumylphenoxy)phthalonitrile Formula: C29H21N5O MolecularWeight: 455.50994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OC3=C(C=C(C(=C3)C#N)C#N)N4C5=CC=CC=C5N=N4

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OC3=C(C=C(C(=C3)C#N)C#N)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C29H21N5O/c1-29(2,22-8-4-3-5-9-22)23-12-14-24(15-13-23)35-28-17-21(19-31)20(18-30)16-27(28)34-26-11-7-6-10-25(26)32-33-34/h3-17H,1-2H3