5-(azepan-1-yl)-N-(3-methoxypropyl)-4-nitro-N-(pyridin-2-ylmethyl)-2,1,3-benzoxadiazol-7-amine

Systemtic Name: 5-(azepan-1-yl)-N-(3-methoxypropyl)-4-nitro-N-(pyridin-2-ylmethyl)-2,1,3-benzoxadiazol-7-amine Openeye Name: 5-(azepan-1-yl)-N-(3-methoxypropyl)-4-nitro-N-(2-pyridylmethyl)-2,1,3-benzoxadiazol-7-amine CAS Name: 5-(1-azepanyl)-N-(3-methoxypropyl)-4-nitro-N-(2-pyridinylmethyl)-2,1,3-benzoxadiazol-7-amine IUPAC Name: 5-(azepan-1-yl)-N-(3-methoxypropyl)-4-nitro-N-(pyridin-2-ylmethyl)-2,1,3-benzoxadiazol-7-amine Traditional Name: [6-(azepan-1-yl)-7-nitro-benzofurazan-4-yl]-(3-methoxypropyl)-(2-pyridylmethyl)amine Formula: C22H28N6O4 MolecularWeight: 440.49552

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN(CC1=CC=CC=N1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCCCCC4

Isomeric SMILES

COCCCN(CC1=CC=CC=N1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCCCCC4

InChI

InChI=1S/C22H28N6O4/c1-31-14-8-13-27(16-17-9-4-5-10-23-17)18-15-19(26-11-6-2-3-7-12-26)22(28(29)30)21-20(18)24-32-25-21/h4-5,9-10,15H,2-3,6-8,11-14,16H2,1H3