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

Systemtic Name: 5-(azepan-1-yl)-4-nitro-N-phenethyl-N-(phenylmethyl)-2,1,3-benzoxadiazol-7-amine Openeye Name: 5-(azepan-1-yl)-N-benzyl-4-nitro-N-phenethyl-2,1,3-benzoxadiazol-7-amine CAS Name: 5-(1-azepanyl)-4-nitro-N-phenethyl-N-(phenylmethyl)-2,1,3-benzoxadiazol-7-amine IUPAC Name: 5-(azepan-1-yl)-N-benzyl-4-nitro-N-phenethyl-2,1,3-benzoxadiazol-7-amine Traditional Name: [6-(azepan-1-yl)-7-nitro-benzofurazan-4-yl]-benzyl-phenethyl-amine Formula: C27H29N5O3 MolecularWeight: 471.55086

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C3=NON=C3C(=C2)N(CCC4=CC=CC=C4)CC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C3=NON=C3C(=C2)N(CCC4=CC=CC=C4)CC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H29N5O3/c33-32(34)27-24(30-16-9-1-2-10-17-30)19-23(25-26(27)29-35-28-25)31(20-22-13-7-4-8-14-22)18-15-21-11-5-3-6-12-21/h3-8,11-14,19H,1-2,9-10,15-18,20H2