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

Systemtic Name: 1-[3,5-bis[(4-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]propan-1-one Openeye Name: 1-[3,5-bis[(4-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]propan-1-one CAS Name: 1-[3,5-bis[(4-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]-1-propanone IUPAC Name: 1-[3,5-bis[(4-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]propan-1-one Traditional Name: 1-[3,5-bis(p-anisylamino)-1,2,4-triazol-1-yl]propan-1-one Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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