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

Systemtic Name: 1-[3,5-bis[(4-ethylphenyl)methylamino]-1,2,4-triazol-1-yl]butan-1-one Openeye Name: 1-[3,5-bis[(4-ethylphenyl)methylamino]-1,2,4-triazol-1-yl]butan-1-one CAS Name: 1-[3,5-bis[(4-ethylphenyl)methylamino]-1,2,4-triazol-1-yl]-1-butanone IUPAC Name: 1-[3,5-bis[(4-ethylphenyl)methylamino]-1,2,4-triazol-1-yl]butan-1-one Traditional Name: 1-[3,5-bis[(4-ethylbenzyl)amino]-1,2,4-triazol-1-yl]butan-1-one Formula: C24H31N5O MolecularWeight: 405.53584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N5O/c1-4-7-22(30)29-24(26-17-21-14-10-19(6-3)11-15-21)27-23(28-29)25-16-20-12-8-18(5-2)9-13-20/h8-15H,4-7,16-17H2,1-3H3,(H2,25,26,27,28)