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

Systemtic Name: 1-[3,5-bis[(4-propan-2-ylphenyl)methylamino]-1,2,4-triazol-1-yl]propan-1-one Openeye Name: 1-[3,5-bis[(4-isopropylphenyl)methylamino]-1,2,4-triazol-1-yl]propan-1-one CAS Name: 1-[3,5-bis[(4-propan-2-ylphenyl)methylamino]-1,2,4-triazol-1-yl]-1-propanone IUPAC Name: 1-[3,5-bis[(4-propan-2-ylphenyl)methylamino]-1,2,4-triazol-1-yl]propan-1-one Traditional Name: 1-[3,5-bis[(4-isopropylbenzyl)amino]-1,2,4-triazol-1-yl]propan-1-one Formula: C25H33N5O MolecularWeight: 419.56242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N5O/c1-6-23(31)30-25(27-16-20-9-13-22(14-10-20)18(4)5)28-24(29-30)26-15-19-7-11-21(12-8-19)17(2)3/h7-14,17-18H,6,15-16H2,1-5H3,(H2,26,27,28,29)