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

Systemtic Name: 5-(azepan-1-yl)-N-cyclopentyl-4-nitro-N-(pyridin-4-ylmethyl)-2,1,3-benzoxadiazol-7-amine Openeye Name: 5-(azepan-1-yl)-N-cyclopentyl-4-nitro-N-(4-pyridylmethyl)-2,1,3-benzoxadiazol-7-amine CAS Name: 5-(1-azepanyl)-N-cyclopentyl-4-nitro-N-(pyridin-4-ylmethyl)-2,1,3-benzoxadiazol-7-amine IUPAC Name: 5-(azepan-1-yl)-N-cyclopentyl-4-nitro-N-(pyridin-4-ylmethyl)-2,1,3-benzoxadiazol-7-amine Traditional Name: [6-(azepan-1-yl)-7-nitro-benzofurazan-4-yl]-cyclopentyl-(4-pyridylmethyl)amine Formula: C23H28N6O3 MolecularWeight: 436.50682

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C3=NON=C3C(=C2)N(CC4=CC=NC=C4)C5CCCC5)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C3=NON=C3C(=C2)N(CC4=CC=NC=C4)C5CCCC5)[N+](=O)[O-]

InChI

InChI=1S/C23H28N6O3/c30-29(31)23-20(27-13-5-1-2-6-14-27)15-19(21-22(23)26-32-25-21)28(18-7-3-4-8-18)16-17-9-11-24-12-10-17/h9-12,15,18H,1-8,13-14,16H2