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

Systemtic Name: 1-[3-(furan-2-yl)-5-[(4-propan-2-ylphenyl)methylamino]-1,2,4-triazol-1-yl]butan-1-one Openeye Name: 1-[3-(2-furyl)-5-[(4-isopropylphenyl)methylamino]-1,2,4-triazol-1-yl]butan-1-one CAS Name: 1-[3-(2-furanyl)-5-[(4-propan-2-ylphenyl)methylamino]-1,2,4-triazol-1-yl]-1-butanone IUPAC Name: 1-[3-(furan-2-yl)-5-[(4-propan-2-ylphenyl)methylamino]-1,2,4-triazol-1-yl]butan-1-one Traditional Name: 1-[3-(2-furyl)-5-[(4-isopropylbenzyl)amino]-1,2,4-triazol-1-yl]butan-1-one Formula: C20H24N4O2 MolecularWeight: 352.43016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O2/c1-4-6-18(25)24-20(22-19(23-24)17-7-5-12-26-17)21-13-15-8-10-16(11-9-15)14(2)3/h5,7-12,14H,4,6,13H2,1-3H3,(H,21,22,23)