3-azanyl-2-(3,5-dimethoxyphenyl)-4-(1-methylbenzimidazol-2-yl)-7-nitro-isoquinolin-1-one

Systemtic Name: 3-azanyl-2-(3,5-dimethoxyphenyl)-4-(1-methylbenzimidazol-2-yl)-7-nitro-isoquinolin-1-one Openeye Name: 3-amino-2-(3,5-dimethoxyphenyl)-4-(1-methylbenzimidazol-2-yl)-7-nitro-isoquinolin-1-one CAS Name: 3-amino-2-(3,5-dimethoxyphenyl)-4-(1-methyl-2-benzimidazolyl)-7-nitro-1-isoquinolinone IUPAC Name: 3-amino-2-(3,5-dimethoxyphenyl)-4-(1-methylbenzimidazol-2-yl)-7-nitroisoquinolin-1-one Traditional Name: 3-amino-2-(3,5-dimethoxyphenyl)-4-(1-methylbenzimidazol-2-yl)-7-nitro-isocarbostyril Formula: C25H21N5O5 MolecularWeight: 471.46474

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C3=C(N(C(=O)C4=C3C=CC(=C4)[N+](=O)[O-])C5=CC(=CC(=C5)OC)OC)N

Isomeric SMILES

CN1C2=CC=CC=C2N=C1C3=C(N(C(=O)C4=C3C=CC(=C4)[N+](=O)[O-])C5=CC(=CC(=C5)OC)OC)N

InChI

InChI=1S/C25H21N5O5/c1-28-21-7-5-4-6-20(21)27-24(28)22-18-9-8-14(30(32)33)12-19(18)25(31)29(23(22)26)15-10-16(34-2)13-17(11-15)35-3/h4-13H,26H2,1-3H3