3-azanyl-4-(1-methylbenzimidazol-2-yl)-7-nitro-2-phenyl-isoquinolin-1-one

Systemtic Name: 3-azanyl-4-(1-methylbenzimidazol-2-yl)-7-nitro-2-phenyl-isoquinolin-1-one Openeye Name: 3-amino-4-(1-methylbenzimidazol-2-yl)-7-nitro-2-phenyl-isoquinolin-1-one CAS Name: 3-amino-4-(1-methyl-2-benzimidazolyl)-7-nitro-2-phenyl-1-isoquinolinone IUPAC Name: 3-amino-4-(1-methylbenzimidazol-2-yl)-7-nitro-2-phenylisoquinolin-1-one Traditional Name: 3-amino-4-(1-methylbenzimidazol-2-yl)-7-nitro-2-phenyl-isocarbostyril Formula: C23H17N5O3 MolecularWeight: 411.41278

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C23H17N5O3/c1-26-19-10-6-5-9-18(19)25-22(26)20-16-12-11-15(28(30)31)13-17(16)23(29)27(21(20)24)14-7-3-2-4-8-14/h2-13H,24H2,1H3