[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-(3-methyl-2-nitro-phenyl)methanone

Systemtic Name: [4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-(3-methyl-2-nitro-phenyl)methanone Openeye Name: [4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]-(3-methyl-2-nitro-phenyl)methanone CAS Name: [4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]-(3-methyl-2-nitrophenyl)methanone IUPAC Name: [4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-(3-methyl-2-nitrophenyl)methanone Traditional Name: [4-(3-fluoro-4-methoxy-benzyl)piperazino]-(3-methyl-2-nitro-phenyl)methanone Formula: C20H22FN3O4 MolecularWeight: 387.404783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)N2CCN(CC2)CC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)N2CCN(CC2)CC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C20H22FN3O4/c1-14-4-3-5-16(19(14)24(26)27)20(25)23-10-8-22(9-11-23)13-15-6-7-18(28-2)17(21)12-15/h3-7,12H,8-11,13H2,1-2H3