1-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-2-(2-nitrophenyl)ethanone

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)CC3=CC=CC=C3[N+](=O)[O-])F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)CC3=CC=CC=C3[N+](=O)[O-])F

InChI

InChI=1S/C20H22FN3O4/c1-28-19-7-6-15(12-17(19)21)14-22-8-10-23(11-9-22)20(25)13-16-4-2-3-5-18(16)24(26)27/h2-7,12H,8-11,13-14H2,1H3