5-[4-(2-chlorophenyl)piperazin-1-yl]-8-nitro-isoquinoline

Systemtic Name: 5-[4-(2-chlorophenyl)piperazin-1-yl]-8-nitro-isoquinoline Openeye Name: 5-[4-(2-chlorophenyl)piperazin-1-yl]-8-nitro-isoquinoline CAS Name: 5-[4-(2-chlorophenyl)-1-piperazinyl]-8-nitroisoquinoline IUPAC Name: 5-[4-(2-chlorophenyl)piperazin-1-yl]-8-nitroisoquinoline Traditional Name: 5-[4-(2-chlorophenyl)piperazino]-8-nitro-isoquinoline Formula: C19H17ClN4O2 MolecularWeight: 368.81688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])C4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CCN1C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])C4=CC=CC=C4Cl

InChI

InChI=1S/C19H17ClN4O2/c20-16-3-1-2-4-19(16)23-11-9-22(10-12-23)17-5-6-18(24(25)26)15-13-21-8-7-14(15)17/h1-8,13H,9-12H2