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

Systemtic Name: 1-[5-[(3-bromophenyl)methylamino]-3-(furan-2-yl)-1,2,4-triazol-1-yl]-3-phenyl-propan-1-one Openeye Name: 1-[5-[(3-bromophenyl)methylamino]-3-(2-furyl)-1,2,4-triazol-1-yl]-3-phenyl-propan-1-one CAS Name: 1-[5-[(3-bromophenyl)methylamino]-3-(2-furanyl)-1,2,4-triazol-1-yl]-3-phenyl-1-propanone IUPAC Name: 1-[5-[(3-bromophenyl)methylamino]-3-(furan-2-yl)-1,2,4-triazol-1-yl]-3-phenylpropan-1-one Traditional Name: 1-[5-[(3-bromobenzyl)amino]-3-(2-furyl)-1,2,4-triazol-1-yl]-3-phenyl-propan-1-one Formula: C22H19BrN4O2 MolecularWeight: 451.31586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)N2C(=NC(=N2)C3=CC=CO3)NCC4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)N2C(=NC(=N2)C3=CC=CO3)NCC4=CC(=CC=C4)Br

InChI

InChI=1S/C22H19BrN4O2/c23-18-9-4-8-17(14-18)15-24-22-25-21(19-10-5-13-29-19)26-27(22)20(28)12-11-16-6-2-1-3-7-16/h1-10,13-14H,11-12,15H2,(H,24,25,26)