5-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-8-nitro-isoquinoline

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3N2)C4=C5C=CN=CC5=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3N2)C4=C5C=CN=CC5=C(C=C4)[N+](=O)[O-]

InChI

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