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

Systemtic Name: 1-[3,5-bis[(4-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]-2-methoxy-ethanone Openeye Name: 1-[3,5-bis[(4-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]-2-methoxy-ethanone CAS Name: 1-[3,5-bis[(4-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]-2-methoxyethanone IUPAC Name: 1-[3,5-bis[(4-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]-2-methoxyethanone Traditional Name: 1-[3,5-bis(p-anisylamino)-1,2,4-triazol-1-yl]-2-methoxy-ethanone Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)N1C(=NC(=N1)NCC2=CC=C(C=C2)OC)NCC3=CC=C(C=C3)OC

Isomeric SMILES

COCC(=O)N1C(=NC(=N1)NCC2=CC=C(C=C2)OC)NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H25N5O4/c1-28-14-19(27)26-21(23-13-16-6-10-18(30-3)11-7-16)24-20(25-26)22-12-15-4-8-17(29-2)9-5-15/h4-11H,12-14H2,1-3H3,(H2,22,23,24,25)