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

Systemtic Name: 3-azanyl-4-(3,4-dimethoxyphenyl)-7-nitro-2-(phenylmethyl)isoquinolin-1-one Openeye Name: 3-amino-2-benzyl-4-(3,4-dimethoxyphenyl)-7-nitro-isoquinolin-1-one CAS Name: 3-amino-4-(3,4-dimethoxyphenyl)-7-nitro-2-(phenylmethyl)-1-isoquinolinone IUPAC Name: 3-amino-2-benzyl-4-(3,4-dimethoxyphenyl)-7-nitroisoquinolin-1-one Traditional Name: 3-amino-2-benzyl-4-(3,4-dimethoxyphenyl)-7-nitro-isocarbostyril Formula: C24H21N3O5 MolecularWeight: 431.44064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(N(C(=O)C3=C2C=CC(=C3)[N+](=O)[O-])CC4=CC=CC=C4)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(N(C(=O)C3=C2C=CC(=C3)[N+](=O)[O-])CC4=CC=CC=C4)N)OC

InChI

InChI=1S/C24H21N3O5/c1-31-20-11-8-16(12-21(20)32-2)22-18-10-9-17(27(29)30)13-19(18)24(28)26(23(22)25)14-15-6-4-3-5-7-15/h3-13H,14,25H2,1-2H3