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

Systemtic Name: 3-azanyl-4-(1-methylbenzimidazol-2-yl)-7-nitro-2-(phenylmethyl)isoquinolin-1-one Openeye Name: 3-amino-2-benzyl-4-(1-methylbenzimidazol-2-yl)-7-nitro-isoquinolin-1-one CAS Name: 3-amino-4-(1-methyl-2-benzimidazolyl)-7-nitro-2-(phenylmethyl)-1-isoquinolinone IUPAC Name: 3-amino-2-benzyl-4-(1-methylbenzimidazol-2-yl)-7-nitroisoquinolin-1-one Traditional Name: 3-amino-2-benzyl-4-(1-methylbenzimidazol-2-yl)-7-nitro-isocarbostyril Formula: C24H19N5O3 MolecularWeight: 425.43936

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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-])CC5=CC=CC=C5)N

Isomeric SMILES

CN1C2=CC=CC=C2N=C1C3=C(N(C(=O)C4=C3C=CC(=C4)[N+](=O)[O-])CC5=CC=CC=C5)N

InChI

InChI=1S/C24H19N5O3/c1-27-20-10-6-5-9-19(20)26-23(27)21-17-12-11-16(29(31)32)13-18(17)24(30)28(22(21)25)14-15-7-3-2-4-8-15/h2-13H,14,25H2,1H3