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

Systemtic Name: 1-[3-(furan-2-yl)-5-[(4-propan-2-ylphenyl)methylamino]-1,2,4-triazol-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[3-(2-furyl)-5-[(4-isopropylphenyl)methylamino]-1,2,4-triazol-1-yl]-3-methyl-butan-1-one CAS Name: 1-[3-(2-furanyl)-5-[(4-propan-2-ylphenyl)methylamino]-1,2,4-triazol-1-yl]-3-methyl-1-butanone IUPAC Name: 1-[3-(furan-2-yl)-5-[(4-propan-2-ylphenyl)methylamino]-1,2,4-triazol-1-yl]-3-methylbutan-1-one Traditional Name: 1-[3-(2-furyl)-5-[(4-isopropylbenzyl)amino]-1,2,4-triazol-1-yl]-3-methyl-butan-1-one Formula: C21H26N4O2 MolecularWeight: 366.45674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O2/c1-14(2)12-19(26)25-21(23-20(24-25)18-6-5-11-27-18)22-13-16-7-9-17(10-8-16)15(3)4/h5-11,14-15H,12-13H2,1-4H3,(H,22,23,24)