3-[[7-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol

Systemtic Name: 3-[[7-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol Openeye Name: 3-[[7-[3-methyl-4-(m-tolyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol CAS Name: 3-[[7-[3-methyl-4-(3-methylphenyl)-1-piperazinyl]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]-1-propanol IUPAC Name: 3-[[7-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol Traditional Name: 3-[[7-[3-methyl-4-(m-tolyl)piperazino]-4-nitro-benzofurazan-5-yl]amino]propan-1-ol Formula: C21H26N6O4 MolecularWeight: 426.46894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])NCCCO

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])NCCCO

InChI

InChI=1S/C21H26N6O4/c1-14-5-3-6-16(11-14)26-9-8-25(13-15(26)2)18-12-17(22-7-4-10-28)21(27(29)30)20-19(18)23-31-24-20/h3,5-6,11-12,15,22,28H,4,7-10,13H2,1-2H3