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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O2/c1-4-5-8-19(26)25-21(23-20(24-25)18-7-6-13-27-18)22-14-16-9-11-17(12-10-16)15(2)3/h6-7,9-13,15H,4-5,8,14H2,1-3H3,(H,22,23,24)