2-[5-(4-ethylpiperazin-1-yl)-2-fluoranyl-4-nitro-phenyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[5-(4-ethylpiperazin-1-yl)-2-fluoranyl-4-nitro-phenyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[5-(4-ethylpiperazin-1-yl)-2-fluoro-4-nitro-phenyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[5-(4-ethyl-1-piperazinyl)-2-fluoro-4-nitrophenyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[5-(4-ethylpiperazin-1-yl)-2-fluoro-4-nitrophenyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[5-(4-ethylpiperazino)-2-fluoro-4-nitro-phenyl]-3,4-dihydro-1H-isoquinoline Formula: C21H25FN4O2 MolecularWeight: 384.447203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=C(C=C2[N+](=O)[O-])F)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=C(C=C2[N+](=O)[O-])F)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H25FN4O2/c1-2-23-9-11-24(12-10-23)20-14-19(18(22)13-21(20)26(27)28)25-8-7-16-5-3-4-6-17(16)15-25/h3-6,13-14H,2,7-12,15H2,1H3