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

Systemtic Name: 3-[3-(4-tert-butylphenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazol-4-yl]phenol Openeye Name: 3-[3-(4-tert-butylphenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazol-4-yl]phenol CAS Name: 3-[3-(4-tert-butylphenyl)-5-(4-methyl-1-piperazinyl)-1,2,4-triazol-4-yl]phenol IUPAC Name: 3-[3-(4-tert-butylphenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazol-4-yl]phenol Traditional Name: 3-[3-(4-tert-butylphenyl)-5-(4-methylpiperazino)-1,2,4-triazol-4-yl]phenol Formula: C23H29N5O MolecularWeight: 391.50926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC(=CC=C3)O)N4CCN(CC4)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC(=CC=C3)O)N4CCN(CC4)C

InChI

InChI=1S/C23H29N5O/c1-23(2,3)18-10-8-17(9-11-18)21-24-25-22(27-14-12-26(4)13-15-27)28(21)19-6-5-7-20(29)16-19/h5-11,16,29H,12-15H2,1-4H3