5,11-dinitroso-2,8-bis(pyridin-3-ylmethyl)-6,12-dihydrobenzo[c][1,5]benzodiazocine

Systemtic Name: 5,11-dinitroso-2,8-bis(pyridin-3-ylmethyl)-6,12-dihydrobenzo[c][1,5]benzodiazocine Openeye Name: 5,11-dinitroso-2,8-bis(3-pyridylmethyl)-6,12-dihydrobenzo[c][1,5]benzodiazocine CAS Name: 5,11-dinitroso-2,8-bis(3-pyridinylmethyl)-6,12-dihydrobenzo[c][1,5]benzodiazocine IUPAC Name: 5,11-dinitroso-2,8-bis(pyridin-3-ylmethyl)-6,12-dihydrobenzo[c][1,5]benzodiazocine Traditional Name: 5,11-dinitroso-2,8-bis(3-pyridylmethyl)-6,12-dihydrobenzo[c][1,5]benzodiazocine Formula: C26H22N6O2 MolecularWeight: 450.49188

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)CC3=CN=CC=C3)N(CC4=C(N1N=O)C=CC(=C4)CC5=CN=CC=C5)N=O

Isomeric SMILES

C1C2=C(C=CC(=C2)CC3=CN=CC=C3)N(CC4=C(N1N=O)C=CC(=C4)CC5=CN=CC=C5)N=O

InChI

InChI=1S/C26H22N6O2/c33-29-31-17-23-13-19(11-21-3-1-9-27-15-21)5-7-25(23)32(30-34)18-24-14-20(6-8-26(24)31)12-22-4-2-10-28-16-22/h1-10,13-16H,11-12,17-18H2