2-[[4-(4-fluoranyl-2-methoxy-phenyl)piperazin-1-yl]methyl]-6-nitro-1,2,3,4-tetrahydroquinoline

Systemtic Name: 2-[[4-(4-fluoranyl-2-methoxy-phenyl)piperazin-1-yl]methyl]-6-nitro-1,2,3,4-tetrahydroquinoline Openeye Name: 2-[[4-(4-fluoro-2-methoxy-phenyl)piperazin-1-yl]methyl]-6-nitro-1,2,3,4-tetrahydroquinoline CAS Name: 2-[[4-(4-fluoro-2-methoxyphenyl)-1-piperazinyl]methyl]-6-nitro-1,2,3,4-tetrahydroquinoline IUPAC Name: 2-[[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methyl]-6-nitro-1,2,3,4-tetrahydroquinoline Traditional Name: 2-[[4-(4-fluoro-2-methoxy-phenyl)piperazino]methyl]-6-nitro-1,2,3,4-tetrahydroquinoline Formula: C21H25FN4O3 MolecularWeight: 400.446603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)F)N2CCN(CC2)CC3CCC4=C(N3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)F)N2CCN(CC2)CC3CCC4=C(N3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H25FN4O3/c1-29-21-13-16(22)3-7-20(21)25-10-8-24(9-11-25)14-17-4-2-15-12-18(26(27)28)5-6-19(15)23-17/h3,5-7,12-13,17,23H,2,4,8-11,14H2,1H3