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

Systemtic Name: 1-[5-[(3-bromophenyl)methylamino]-3-(furan-2-yl)-1,2,4-triazol-1-yl]pentan-1-one Openeye Name: 1-[5-[(3-bromophenyl)methylamino]-3-(2-furyl)-1,2,4-triazol-1-yl]pentan-1-one CAS Name: 1-[5-[(3-bromophenyl)methylamino]-3-(2-furanyl)-1,2,4-triazol-1-yl]-1-pentanone IUPAC Name: 1-[5-[(3-bromophenyl)methylamino]-3-(furan-2-yl)-1,2,4-triazol-1-yl]pentan-1-one Traditional Name: 1-[5-[(3-bromobenzyl)amino]-3-(2-furyl)-1,2,4-triazol-1-yl]pentan-1-one Formula: C18H19BrN4O2 MolecularWeight: 403.27306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN4O2/c1-2-3-9-16(24)23-18(20-12-13-6-4-7-14(19)11-13)21-17(22-23)15-8-5-10-25-15/h4-8,10-11H,2-3,9,12H2,1H3,(H,20,21,22)