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

Systemtic Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-2-phenoxy-ethanone CAS Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-2-phenoxyethanone IUPAC Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-2-phenoxyethanone Traditional Name: 1-[5-[[4-(dimethylamino)benzyl]amino]-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-2-phenoxy-ethanone Formula: C26H27N5O3 MolecularWeight: 457.52428

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNC2=NC(=NN2C(=O)COC3=CC=CC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNC2=NC(=NN2C(=O)COC3=CC=CC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H27N5O3/c1-30(2)21-13-9-19(10-14-21)17-27-26-28-25(20-11-15-22(33-3)16-12-20)29-31(26)24(32)18-34-23-7-5-4-6-8-23/h4-16H,17-18H2,1-3H3,(H,27,28,29)