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

Systemtic Name: 5-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]-8-nitro-isoquinoline Openeye Name: 5-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]-8-nitro-isoquinoline CAS Name: 5-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazinyl]-8-nitroisoquinoline IUPAC Name: 5-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-8-nitroisoquinoline Traditional Name: 5-[4-[(5-chloro-2-thienyl)methyl]piperazino]-8-nitro-isoquinoline Formula: C18H17ClN4O2S MolecularWeight: 388.87118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(S2)Cl)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=C(S2)Cl)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17ClN4O2S/c19-18-4-1-13(26-18)12-21-7-9-22(10-8-21)16-2-3-17(23(24)25)15-11-20-6-5-14(15)16/h1-6,11H,7-10,12H2