5-[4-(3-chlorophenyl)piperazin-1-yl]-8-nitro-isoquinoline

Systemtic Name: 5-[4-(3-chlorophenyl)piperazin-1-yl]-8-nitro-isoquinoline Openeye Name: 5-[4-(3-chlorophenyl)piperazin-1-yl]-8-nitro-isoquinoline CAS Name: 5-[4-(3-chlorophenyl)-1-piperazinyl]-8-nitroisoquinoline IUPAC Name: 5-[4-(3-chlorophenyl)piperazin-1-yl]-8-nitroisoquinoline Traditional Name: 5-[4-(3-chlorophenyl)piperazino]-8-nitro-isoquinoline Formula: C19H17ClN4O2 MolecularWeight: 368.81688

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

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