5-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-8-nitro-isoquinoline

Systemtic Name: 5-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-8-nitro-isoquinoline Openeye Name: 5-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-8-nitro-isoquinoline CAS Name: 5-[4-(2-imidazo[1,2-a]pyridinylmethyl)-1-piperazinyl]-8-nitroisoquinoline IUPAC Name: 5-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-8-nitroisoquinoline Traditional Name: 5-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazino]-8-nitro-isoquinoline Formula: C21H20N6O2 MolecularWeight: 388.4225

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN3C=CC=CC3=N2)C4=C5C=CN=CC5=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CN3C=CC=CC3=N2)C4=C5C=CN=CC5=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N6O2/c28-27(29)20-5-4-19(17-6-7-22-13-18(17)20)25-11-9-24(10-12-25)14-16-15-26-8-2-1-3-21(26)23-16/h1-8,13,15H,9-12,14H2