3-[[4-nitro-7-[phenethyl-(phenylmethyl)amino]-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol

Systemtic Name: 3-[[4-nitro-7-[phenethyl-(phenylmethyl)amino]-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol Openeye Name: 3-[[7-[benzyl(phenethyl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol CAS Name: 3-[[4-nitro-7-[phenethyl-(phenylmethyl)amino]-2,1,3-benzoxadiazol-5-yl]amino]-1-propanol IUPAC Name: 3-[[7-[benzyl(phenethyl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol Traditional Name: 3-[[7-[benzyl(phenethyl)amino]-4-nitro-benzofurazan-5-yl]amino]propan-1-ol Formula: C24H25N5O4 MolecularWeight: 447.4864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])NCCCO

Isomeric SMILES

C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])NCCCO

InChI

InChI=1S/C24H25N5O4/c30-15-7-13-25-20-16-21(22-23(27-33-26-22)24(20)29(31)32)28(17-19-10-5-2-6-11-19)14-12-18-8-3-1-4-9-18/h1-6,8-11,16,25,30H,7,12-15,17H2