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

Systemtic Name: 1-[5-[(4-bromophenyl)methylamino]-3-(furan-2-yl)-1,2,4-triazol-1-yl]-3-phenyl-propan-1-one Openeye Name: 1-[5-[(4-bromophenyl)methylamino]-3-(2-furyl)-1,2,4-triazol-1-yl]-3-phenyl-propan-1-one CAS Name: 1-[5-[(4-bromophenyl)methylamino]-3-(2-furanyl)-1,2,4-triazol-1-yl]-3-phenyl-1-propanone IUPAC Name: 1-[5-[(4-bromophenyl)methylamino]-3-(furan-2-yl)-1,2,4-triazol-1-yl]-3-phenylpropan-1-one Traditional Name: 1-[5-[(4-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=C(C=C4)Br

Isomeric SMILES

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

InChI

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