6-(3-fluorophenyl)carbonyl-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,3-benzoxazol-2-one

Systemtic Name: 6-(3-fluorophenyl)carbonyl-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,3-benzoxazol-2-one Openeye Name: 6-(3-fluorobenzoyl)-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,3-benzoxazol-2-one CAS Name: 6-[(3-fluorophenyl)-oxomethyl]-3-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 6-(3-fluorobenzoyl)-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,3-benzoxazol-2-one Traditional Name: 6-(3-fluorobenzoyl)-3-[[4-(4-nitrophenyl)piperazino]methyl]-1,3-benzoxazol-2-one Formula: C25H21FN4O5 MolecularWeight: 476.456443

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C3=C(C=C(C=C3)C(=O)C4=CC(=CC=C4)F)OC2=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CN2C3=C(C=C(C=C3)C(=O)C4=CC(=CC=C4)F)OC2=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H21FN4O5/c26-19-3-1-2-17(14-19)24(31)18-4-9-22-23(15-18)35-25(32)29(22)16-27-10-12-28(13-11-27)20-5-7-21(8-6-20)30(33)34/h1-9,14-15H,10-13,16H2