3-azanyl-2-[3-(dimethylamino)propyl]-4-(1-methylbenzimidazol-2-yl)-7-nitro-isoquinolin-1-one

Systemtic Name: 3-azanyl-2-[3-(dimethylamino)propyl]-4-(1-methylbenzimidazol-2-yl)-7-nitro-isoquinolin-1-one Openeye Name: 3-amino-2-[3-(dimethylamino)propyl]-4-(1-methylbenzimidazol-2-yl)-7-nitro-isoquinolin-1-one CAS Name: 3-amino-2-[3-(dimethylamino)propyl]-4-(1-methyl-2-benzimidazolyl)-7-nitro-1-isoquinolinone IUPAC Name: 3-amino-2-[3-(dimethylamino)propyl]-4-(1-methylbenzimidazol-2-yl)-7-nitroisoquinolin-1-one Traditional Name: 3-amino-2-[3-(dimethylamino)propyl]-4-(1-methylbenzimidazol-2-yl)-7-nitro-isocarbostyril Formula: C22H24N6O3 MolecularWeight: 420.46436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C3=C(N(C(=O)C4=C3C=CC(=C4)[N+](=O)[O-])CCCN(C)C)N

Isomeric SMILES

CN1C2=CC=CC=C2N=C1C3=C(N(C(=O)C4=C3C=CC(=C4)[N+](=O)[O-])CCCN(C)C)N

InChI

InChI=1S/C22H24N6O3/c1-25(2)11-6-12-27-20(23)19(21-24-17-7-4-5-8-18(17)26(21)3)15-10-9-14(28(30)31)13-16(15)22(27)29/h4-5,7-10,13H,6,11-12,23H2,1-3H3