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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCCCCC4

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCCCCC4

InChI

InChI=1S/C20H23N5O3/c1-23(14-15-9-5-4-6-10-15)16-13-17(24-11-7-2-3-8-12-24)20(25(26)27)19-18(16)21-28-22-19/h4-6,9-10,13H,2-3,7-8,11-12,14H2,1H3