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

Systemtic Name: 1-[3,5-bis[(4-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]butan-1-one Openeye Name: 1-[3,5-bis[(4-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]butan-1-one CAS Name: 1-[3,5-bis[(4-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]-1-butanone IUPAC Name: 1-[3,5-bis[(4-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]butan-1-one Traditional Name: 1-[3,5-bis(p-anisylamino)-1,2,4-triazol-1-yl]butan-1-one Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O3/c1-4-5-20(28)27-22(24-15-17-8-12-19(30-3)13-9-17)25-21(26-27)23-14-16-6-10-18(29-2)11-7-16/h6-13H,4-5,14-15H2,1-3H3,(H2,23,24,25,26)