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

Systemtic Name: 3-azanyl-2-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-7-nitro-isoquinolin-1-one Openeye Name: 3-amino-2-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-7-nitro-isoquinolin-1-one CAS Name: 3-amino-2-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-7-nitro-1-isoquinolinone IUPAC Name: 3-amino-2-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-7-nitroisoquinolin-1-one Traditional Name: 3-amino-2-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-7-nitro-isocarbostyril Formula: C24H21N3O6 MolecularWeight: 447.44004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=CC(=C3)[N+](=O)[O-])C4=CC(=CC(=C4)OC)OC)N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=CC(=C3)[N+](=O)[O-])C4=CC(=CC(=C4)OC)OC)N

InChI

InChI=1S/C24H21N3O6/c1-31-17-7-4-14(5-8-17)22-20-9-6-15(27(29)30)12-21(20)24(28)26(23(22)25)16-10-18(32-2)13-19(11-16)33-3/h4-13H,25H2,1-3H3