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

Systemtic Name: 1-[5-[(4-bromophenyl)methylamino]-3-(furan-2-yl)-1,2,4-triazol-1-yl]hexan-1-one Openeye Name: 1-[5-[(4-bromophenyl)methylamino]-3-(2-furyl)-1,2,4-triazol-1-yl]hexan-1-one CAS Name: 1-[5-[(4-bromophenyl)methylamino]-3-(2-furanyl)-1,2,4-triazol-1-yl]-1-hexanone IUPAC Name: 1-[5-[(4-bromophenyl)methylamino]-3-(furan-2-yl)-1,2,4-triazol-1-yl]hexan-1-one Traditional Name: 1-[5-[(4-bromobenzyl)amino]-3-(2-furyl)-1,2,4-triazol-1-yl]hexan-1-one Formula: C19H21BrN4O2 MolecularWeight: 417.29964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN4O2/c1-2-3-4-7-17(25)24-19(21-13-14-8-10-15(20)11-9-14)22-18(23-24)16-6-5-12-26-16/h5-6,8-12H,2-4,7,13H2,1H3,(H,21,22,23)