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

Systemtic Name: 1-[3-(furan-2-yl)-5-[(4-propan-2-ylphenyl)methylamino]-1,2,4-triazol-1-yl]hexan-1-one Openeye Name: 1-[3-(2-furyl)-5-[(4-isopropylphenyl)methylamino]-1,2,4-triazol-1-yl]hexan-1-one CAS Name: 1-[3-(2-furanyl)-5-[(4-propan-2-ylphenyl)methylamino]-1,2,4-triazol-1-yl]-1-hexanone IUPAC Name: 1-[3-(furan-2-yl)-5-[(4-propan-2-ylphenyl)methylamino]-1,2,4-triazol-1-yl]hexan-1-one Traditional Name: 1-[3-(2-furyl)-5-[(4-isopropylbenzyl)amino]-1,2,4-triazol-1-yl]hexan-1-one Formula: C22H28N4O2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1C(=NC(=N1)C2=CC=CO2)NCC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCCCCC(=O)N1C(=NC(=N1)C2=CC=CO2)NCC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C22H28N4O2/c1-4-5-6-9-20(27)26-22(24-21(25-26)19-8-7-14-28-19)23-15-17-10-12-18(13-11-17)16(2)3/h7-8,10-14,16H,4-6,9,15H2,1-3H3,(H,23,24,25)