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

Systemtic Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-2-methoxy-ethanone Openeye Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-2-methoxy-ethanone CAS Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-2-methoxyethanone IUPAC Name: 1-[5-[(4-dimethylaminophenyl)methylamino]-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-2-methoxyethanone Traditional Name: 1-[5-[[4-(dimethylamino)benzyl]amino]-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-2-methoxy-ethanone Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O3/c1-25(2)17-9-5-15(6-10-17)13-22-21-23-20(24-26(21)19(27)14-28-3)16-7-11-18(29-4)12-8-16/h5-12H,13-14H2,1-4H3,(H,22,23,24)