1-methoxy-3-methyl-2-[4-(2-phenylethynyl)phenyl]-1-(1,2,4-triazol-1-yl)butan-2-ol

Systemtic Name: 1-methoxy-3-methyl-2-[4-(2-phenylethynyl)phenyl]-1-(1,2,4-triazol-1-yl)butan-2-ol Openeye Name: 1-methoxy-3-methyl-2-[4-(2-phenylethynyl)phenyl]-1-(1,2,4-triazol-1-yl)butan-2-ol CAS Name: 1-methoxy-3-methyl-2-[4-(2-phenylethynyl)phenyl]-1-(1,2,4-triazol-1-yl)-2-butanol IUPAC Name: 1-methoxy-3-methyl-2-[4-(2-phenylethynyl)phenyl]-1-(1,2,4-triazol-1-yl)butan-2-ol Traditional Name: 1-methoxy-3-methyl-2-[4-(2-phenylethynyl)phenyl]-1-(1,2,4-triazol-1-yl)butan-2-ol Formula: C22H23N3O2 MolecularWeight: 361.43692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=C(C=C1)C#CC2=CC=CC=C2)(C(N3C=NC=N3)OC)O

Isomeric SMILES

CC(C)C(C1=CC=C(C=C1)C#CC2=CC=CC=C2)(C(N3C=NC=N3)OC)O

InChI

InChI=1S/C22H23N3O2/c1-17(2)22(26,21(27-3)25-16-23-15-24-25)20-13-11-19(12-14-20)10-9-18-7-5-4-6-8-18/h4-8,11-17,21,26H,1-3H3