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

Systemtic Name: 1-[3-(furan-2-yl)-5-[(3-nitrophenyl)methylamino]-1,2,4-triazol-1-yl]-3-phenyl-propan-1-one Openeye Name: 1-[3-(2-furyl)-5-[(3-nitrophenyl)methylamino]-1,2,4-triazol-1-yl]-3-phenyl-propan-1-one CAS Name: 1-[3-(2-furanyl)-5-[(3-nitrophenyl)methylamino]-1,2,4-triazol-1-yl]-3-phenyl-1-propanone IUPAC Name: 1-[3-(furan-2-yl)-5-[(3-nitrophenyl)methylamino]-1,2,4-triazol-1-yl]-3-phenylpropan-1-one Traditional Name: 1-[3-(2-furyl)-5-[(3-nitrobenzyl)amino]-1,2,4-triazol-1-yl]-3-phenyl-propan-1-one Formula: C22H19N5O4 MolecularWeight: 417.41736

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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)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)N2C(=NC(=N2)C3=CC=CO3)NCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H19N5O4/c28-20(12-11-16-6-2-1-3-7-16)26-22(24-21(25-26)19-10-5-13-31-19)23-15-17-8-4-9-18(14-17)27(29)30/h1-10,13-14H,11-12,15H2,(H,23,24,25)