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

Systemtic Name: 5-(azepan-1-yl)-4-nitro-N-phenethyl-2,1,3-benzoxadiazol-7-amine Openeye Name: 5-(azepan-1-yl)-4-nitro-N-phenethyl-2,1,3-benzoxadiazol-7-amine CAS Name: 5-(1-azepanyl)-4-nitro-N-phenethyl-2,1,3-benzoxadiazol-7-amine IUPAC Name: 5-(azepan-1-yl)-4-nitro-N-phenethyl-2,1,3-benzoxadiazol-7-amine Traditional Name: [6-(azepan-1-yl)-7-nitro-benzofurazan-4-yl]-phenethyl-amine Formula: C20H23N5O3 MolecularWeight: 381.42832

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C3=NON=C3C(=C2)NCCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C3=NON=C3C(=C2)NCCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O3/c26-25(27)20-17(24-12-6-1-2-7-13-24)14-16(18-19(20)23-28-22-18)21-11-10-15-8-4-3-5-9-15/h3-5,8-9,14,21H,1-2,6-7,10-13H2