4-[4-[(2R)-3-(benzotriazol-1-yl)-2-oxidanyl-propoxy]phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-[(2R)-3-(benzotriazol-1-yl)-2-oxidanyl-propoxy]phenyl]benzenecarbonitrile Openeye Name: 4-[4-[(2R)-3-(benzotriazol-1-yl)-2-hydroxy-propoxy]phenyl]benzonitrile CAS Name: 4-[4-[(2R)-3-(1-benzotriazolyl)-2-hydroxypropoxy]phenyl]benzonitrile IUPAC Name: 4-[4-[(2R)-3-(benzotriazol-1-yl)-2-hydroxypropoxy]phenyl]benzonitrile Traditional Name: 4-[4-[(2R)-3-(benzotriazol-1-yl)-2-hydroxy-propoxy]phenyl]benzonitrile Formula: C22H18N4O2 MolecularWeight: 370.40392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CC(COC3=CC=C(C=C3)C4=CC=C(C=C4)C#N)O

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2C[C@H](COC3=CC=C(C=C3)C4=CC=C(C=C4)C#N)O

InChI

InChI=1S/C22H18N4O2/c23-13-16-5-7-17(8-6-16)18-9-11-20(12-10-18)28-15-19(27)14-26-22-4-2-1-3-21(22)24-25-26/h1-12,19,27H,14-15H2/t19-/m1/s1