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

Systemtic Name: 5-(azepan-1-yl)-N-naphthalen-2-yl-4-nitro-2,1,3-benzoxadiazol-7-amine Openeye Name: 5-(azepan-1-yl)-N-(2-naphthyl)-4-nitro-2,1,3-benzoxadiazol-7-amine CAS Name: 5-(1-azepanyl)-N-(2-naphthalenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine IUPAC Name: 5-(azepan-1-yl)-N-naphthalen-2-yl-4-nitro-2,1,3-benzoxadiazol-7-amine Traditional Name: [6-(azepan-1-yl)-7-nitro-benzofurazan-4-yl]-(2-naphthyl)amine Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C3=NON=C3C(=C2)NC4=CC5=CC=CC=C5C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C3=NON=C3C(=C2)NC4=CC5=CC=CC=C5C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O3/c28-27(29)22-19(26-11-5-1-2-6-12-26)14-18(20-21(22)25-30-24-20)23-17-10-9-15-7-3-4-8-16(15)13-17/h3-4,7-10,13-14,23H,1-2,5-6,11-12H2