1-(3-oxidanidyl-2,1,3-benzoxadiazol-3-ium-5-yl)-3-(3-pyridin-4-ylpropyl)-1,8-naphthyridin-2-one

Systemtic Name: 1-(3-oxidanidyl-2,1,3-benzoxadiazol-3-ium-5-yl)-3-(3-pyridin-4-ylpropyl)-1,8-naphthyridin-2-one Openeye Name: 1-(3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)-3-[3-(4-pyridyl)propyl]-1,8-naphthyridin-2-one CAS Name: 1-(3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)-3-(3-pyridin-4-ylpropyl)-1,8-naphthyridin-2-one IUPAC Name: 1-(3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)-3-(3-pyridin-4-ylpropyl)-1,8-naphthyridin-2-one Traditional Name: 1-(3-oxidobenzofurazan-3-ium-5-yl)-3-[3-(4-pyridyl)propyl]-1,8-naphthyridin-2-one Formula: C22H17N5O3 MolecularWeight: 399.40208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(N=C1)N(C(=O)C(=C2)CCCC3=CC=NC=C3)C4=CC5=[N+](ON=C5C=C4)[O-]

Isomeric SMILES

C1=CC2=C(N=C1)N(C(=O)C(=C2)CCCC3=CC=NC=C3)C4=CC5=[N+](ON=C5C=C4)[O-]

InChI

InChI=1S/C22H17N5O3/c28-22-17(4-1-3-15-8-11-23-12-9-15)13-16-5-2-10-24-21(16)26(22)18-6-7-19-20(14-18)27(29)30-25-19/h2,5-14H,1,3-4H2