1-[5-[(4-dimethylaminophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2-phenoxy-ethanone

Systemtic Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-(p-tolyl)-1,2,4-triazol-1-yl]-2-phenoxy-ethanone CAS Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2-phenoxyethanone IUPAC Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-2-phenoxyethanone Traditional Name: 1-[5-[[4-(dimethylamino)benzyl]amino]-3-(p-tolyl)-1,2,4-triazol-1-yl]-2-phenoxy-ethanone Formula: C26H27N5O2 MolecularWeight: 441.52488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=C(C=C3)N(C)C)C(=O)COC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=C(C=C3)N(C)C)C(=O)COC4=CC=CC=C4

InChI

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