5-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]-4-nitro-2,1,3-benzoxadiazol-7-amine

Systemtic Name: 5-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]-4-nitro-2,1,3-benzoxadiazol-7-amine Openeye Name: 5-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]-4-nitro-2,1,3-benzoxadiazol-7-amine CAS Name: 5-(1-azepanyl)-N-[2-(1-cyclohexenyl)ethyl]-4-nitro-2,1,3-benzoxadiazol-7-amine IUPAC Name: 5-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]-4-nitro-2,1,3-benzoxadiazol-7-amine Traditional Name: [6-(azepan-1-yl)-7-nitro-benzofurazan-4-yl]-[2-(cyclohexen-1-yl)ethyl]amine Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C3=NON=C3C(=C2)NCCC4=CCCCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C3=NON=C3C(=C2)NCCC4=CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H27N5O3/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/h8,14,21H,1-7,9-13H2