(4-tert-butylphenyl)-[5-[(2-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone

Systemtic Name: (4-tert-butylphenyl)-[5-[(2-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone Openeye Name: (4-tert-butylphenyl)-[5-[(2-methoxyphenyl)methylamino]-3-(3-pyridyl)-1,2,4-triazol-1-yl]methanone CAS Name: (4-tert-butylphenyl)-[5-[(2-methoxyphenyl)methylamino]-3-(3-pyridinyl)-1,2,4-triazol-1-yl]methanone IUPAC Name: (4-tert-butylphenyl)-[5-[(2-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone Traditional Name: (4-tert-butylphenyl)-[5-(o-anisylamino)-3-(3-pyridyl)-1,2,4-triazol-1-yl]methanone Formula: C26H27N5O2 MolecularWeight: 441.52488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2C(=NC(=N2)C3=CN=CC=C3)NCC4=CC=CC=C4OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2C(=NC(=N2)C3=CN=CC=C3)NCC4=CC=CC=C4OC

InChI

InChI=1S/C26H27N5O2/c1-26(2,3)21-13-11-18(12-14-21)24(32)31-25(28-17-19-8-5-6-10-22(19)33-4)29-23(30-31)20-9-7-15-27-16-20/h5-16H,17H2,1-4H3,(H,28,29,30)