1-[3-(furan-2-yl)-5-[(phenylmethyl)amino]-1,2,4-triazol-1-yl]-2-phenyl-ethanone

Systemtic Name: 1-[3-(furan-2-yl)-5-[(phenylmethyl)amino]-1,2,4-triazol-1-yl]-2-phenyl-ethanone Openeye Name: 1-[5-(benzylamino)-3-(2-furyl)-1,2,4-triazol-1-yl]-2-phenyl-ethanone CAS Name: 1-[3-(2-furanyl)-5-[(phenylmethyl)amino]-1,2,4-triazol-1-yl]-2-phenylethanone IUPAC Name: 1-[5-(benzylamino)-3-(furan-2-yl)-1,2,4-triazol-1-yl]-2-phenylethanone Traditional Name: 1-[5-(benzylamino)-3-(2-furyl)-1,2,4-triazol-1-yl]-2-phenyl-ethanone Formula: C21H18N4O2 MolecularWeight: 358.39322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O2/c26-19(14-16-8-3-1-4-9-16)25-21(22-15-17-10-5-2-6-11-17)23-20(24-25)18-12-7-13-27-18/h1-13H,14-15H2,(H,22,23,24)