2-[12-(3-azanylidenebenzo[h]cinnolin-2-yl)dodecyl]benzo[h]cinnolin-3-imine bromide

Systemtic Name: 2-[12-(3-azanylidenebenzo[h]cinnolin-2-yl)dodecyl]benzo[h]cinnolin-3-imine bromide Openeye Name: 2-[12-(3-iminobenzo[h]cinnolin-2-yl)dodecyl]benzo[h]cinnolin-3-imine bromide CAS Name: 2-[12-(3-imino-2-benzo[h]cinnolinyl)dodecyl]-3-benzo[h]cinnolinimine bromide IUPAC Name: 2-[12-(3-iminobenzo[h]cinnolin-2-yl)dodecyl]benzo[h]cinnolin-3-imine bromide Traditional Name: [2-[12-(3-iminobenzo[h]cinnolin-2-yl)dodecyl]benzo[h]cinnolin-3-ylidene]amine bromide Formula: C36H40BrN6- MolecularWeight: 636.647

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=CC(=N)N(N=C32)CCCCCCCCCCCCN4C(=N)C=C5C=CC6=CC=CC=C6C5=N4.[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=CC(=N)N(N=C32)CCCCCCCCCCCCN4C(=N)C=C5C=CC6=CC=CC=C6C5=N4.[Br-]

InChI

InChI=1S/C36H40N6.BrH/c37-33-25-29-21-19-27-15-9-11-17-31(27)35(29)39-41(33)23-13-7-5-3-1-2-4-6-8-14-24-42-34(38)26-30-22-20-28-16-10-12-18-32(28)36(30)40-42;/h9-12,15-22,25-26,37-38H,1-8,13-14,23-24H2;1H/p-1