4-[4-[2-[[3-(2H-benzotriazol-4-yloxy)-2-oxidanyl-propyl]amino]-2-methyl-propyl]phenoxy]benzenecarbonitrile

Systemtic Name: 4-[4-[2-[[3-(2H-benzotriazol-4-yloxy)-2-oxidanyl-propyl]amino]-2-methyl-propyl]phenoxy]benzenecarbonitrile Openeye Name: 4-[4-[2-[[3-(2H-benzotriazol-4-yloxy)-2-hydroxy-propyl]amino]-2-methyl-propyl]phenoxy]benzonitrile CAS Name: 4-[4-[2-[[3-(2H-benzotriazol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]benzonitrile IUPAC Name: 4-[4-[2-[[3-(2H-benzotriazol-4-yloxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]benzonitrile Traditional Name: 4-[4-[2-[[3-(2H-benzotriazol-4-yloxy)-2-hydroxy-propyl]amino]-2-methyl-propyl]phenoxy]benzonitrile Formula: C26H27N5O3 MolecularWeight: 457.52428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC=C(C=C1)OC2=CC=C(C=C2)C#N)NCC(COC3=CC=CC4=NNN=C43)O

Isomeric SMILES

CC(C)(CC1=CC=C(C=C1)OC2=CC=C(C=C2)C#N)NCC(COC3=CC=CC4=NNN=C43)O

InChI

InChI=1S/C26H27N5O3/c1-26(2,28-16-20(32)17-33-24-5-3-4-23-25(24)30-31-29-23)14-18-6-10-21(11-7-18)34-22-12-8-19(15-27)9-13-22/h3-13,20,28,32H,14,16-17H2,1-2H3,(H,29,30,31)