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

Systemtic Name: 7-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-N-(phenylmethyl)-2,1,3-benzoxadiazol-5-amine Openeye Name: N-benzyl-7-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine CAS Name: 7-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-N-(phenylmethyl)-2,1,3-benzoxadiazol-5-amine IUPAC Name: N-benzyl-7-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine Traditional Name: benzyl-[7-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-benzofurazan-5-yl]amine Formula: C22H19N5O3 MolecularWeight: 401.41796

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])NCC5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])NCC5=CC=CC=C5

InChI

InChI=1S/C22H19N5O3/c28-27(29)22-18(23-13-15-6-2-1-3-7-15)12-19(20-21(22)25-30-24-20)26-11-10-16-8-4-5-9-17(16)14-26/h1-9,12,23H,10-11,13-14H2