3-[2-(4-tert-butylphenyl)-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]phenol

Systemtic Name: 3-[2-(4-tert-butylphenyl)-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]phenol Openeye Name: 3-[2-(4-tert-butylphenyl)-5-(morpholinomethyl)-1,2,4-triazol-3-yl]phenol CAS Name: 3-[2-(4-tert-butylphenyl)-5-(4-morpholinylmethyl)-1,2,4-triazol-3-yl]phenol IUPAC Name: 3-[2-(4-tert-butylphenyl)-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]phenol Traditional Name: 3-[2-(4-tert-butylphenyl)-5-(morpholinomethyl)-1,2,4-triazol-3-yl]phenol Formula: C23H28N4O2 MolecularWeight: 392.49402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C(=NC(=N2)CN3CCOCC3)C4=CC(=CC=C4)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C(=NC(=N2)CN3CCOCC3)C4=CC(=CC=C4)O

InChI

InChI=1S/C23H28N4O2/c1-23(2,3)18-7-9-19(10-8-18)27-22(17-5-4-6-20(28)15-17)24-21(25-27)16-26-11-13-29-14-12-26/h4-10,15,28H,11-14,16H2,1-3H3