[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-(4-imidazol-1-yl-3-nitro-phenyl)methanone

Systemtic Name: [4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-(4-imidazol-1-yl-3-nitro-phenyl)methanone Openeye Name: [4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]-(4-imidazol-1-yl-3-nitro-phenyl)methanone CAS Name: [4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]-[4-(1-imidazolyl)-3-nitrophenyl]methanone IUPAC Name: [4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-(4-imidazol-1-yl-3-nitrophenyl)methanone Traditional Name: [4-(3-fluoro-4-methoxy-benzyl)piperazino]-(4-imidazol-1-yl-3-nitro-phenyl)methanone Formula: C22H22FN5O4 MolecularWeight: 439.439583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C3=CC(=C(C=C3)N4C=CN=C4)[N+](=O)[O-])F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C3=CC(=C(C=C3)N4C=CN=C4)[N+](=O)[O-])F

InChI

InChI=1S/C22H22FN5O4/c1-32-21-5-2-16(12-18(21)23)14-25-8-10-26(11-9-25)22(29)17-3-4-19(20(13-17)28(30)31)27-7-6-24-15-27/h2-7,12-13,15H,8-11,14H2,1H3