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

Systemtic Name: 5-(azepan-1-yl)-4-nitro-N-(phenylmethyl)-2,1,3-benzoxadiazol-7-amine Openeye Name: 5-(azepan-1-yl)-N-benzyl-4-nitro-2,1,3-benzoxadiazol-7-amine CAS Name: 5-(1-azepanyl)-4-nitro-N-(phenylmethyl)-2,1,3-benzoxadiazol-7-amine IUPAC Name: 5-(azepan-1-yl)-N-benzyl-4-nitro-2,1,3-benzoxadiazol-7-amine Traditional Name: [6-(azepan-1-yl)-7-nitro-benzofurazan-4-yl]-benzyl-amine Formula: C19H21N5O3 MolecularWeight: 367.40174

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C3=NON=C3C(=C2)NCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C3=NON=C3C(=C2)NCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O3/c25-24(26)19-16(23-10-6-1-2-7-11-23)12-15(17-18(19)22-27-21-17)20-13-14-8-4-3-5-9-14/h3-5,8-9,12,20H,1-2,6-7,10-11,13H2