2,2-dimethyl-1-[5-[(4-phenylmethoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]propan-1-one

Systemtic Name: 2,2-dimethyl-1-[5-[(4-phenylmethoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]propan-1-one Openeye Name: 1-[5-[(4-benzyloxyphenyl)methylamino]-3-(3-pyridyl)-1,2,4-triazol-1-yl]-2,2-dimethyl-propan-1-one CAS Name: 2,2-dimethyl-1-[5-[(4-phenylmethoxyphenyl)methylamino]-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-1-propanone IUPAC Name: 2,2-dimethyl-1-[5-[(4-phenylmethoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]propan-1-one Traditional Name: 1-[5-[(4-benzoxybenzyl)amino]-3-(3-pyridyl)-1,2,4-triazol-1-yl]-2,2-dimethyl-propan-1-one Formula: C26H27N5O2 MolecularWeight: 441.52488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1C(=NC(=N1)C2=CN=CC=C2)NCC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)N1C(=NC(=N1)C2=CN=CC=C2)NCC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H27N5O2/c1-26(2,3)24(32)31-25(29-23(30-31)21-10-7-15-27-17-21)28-16-19-11-13-22(14-12-19)33-18-20-8-5-4-6-9-20/h4-15,17H,16,18H2,1-3H3,(H,28,29,30)