3-azanyl-2-[2-(3-methoxyphenyl)ethyl]-N-oxidanyl-1-oxidanylidene-4-phenyl-isoquinolin-7-amine oxide

Systemtic Name: 3-azanyl-2-[2-(3-methoxyphenyl)ethyl]-N-oxidanyl-1-oxidanylidene-4-phenyl-isoquinolin-7-amine oxide Openeye Name: 3-amino-N-hydroxy-2-[2-(3-methoxyphenyl)ethyl]-1-oxo-4-phenyl-isoquinolin-7-amine oxide CAS Name: 3-amino-N-hydroxy-2-[2-(3-methoxyphenyl)ethyl]-1-oxo-4-phenyl-7-isoquinolinamine oxide IUPAC Name: 3-amino-N-hydroxy-2-[2-(3-methoxyphenyl)ethyl]-1-oxo-4-phenylisoquinolin-7-amine oxide Traditional Name: 3-amino-N-hydroxy-1-keto-2-[2-(3-methoxyphenyl)ethyl]-4-phenyl-isoquinolin-7-amine oxide Formula: C24H23N3O4 MolecularWeight: 417.45712

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCN2C(=C(C3=C(C2=O)C=C(C=C3)[NH+](O)[O-])C4=CC=CC=C4)N

Isomeric SMILES

COC1=CC=CC(=C1)CCN2C(=C(C3=C(C2=O)C=C(C=C3)[NH+](O)[O-])C4=CC=CC=C4)N

InChI

InChI=1S/C24H23N3O4/c1-31-19-9-5-6-16(14-19)12-13-26-23(25)22(17-7-3-2-4-8-17)20-11-10-18(27(29)30)15-21(20)24(26)28/h2-11,14-15,27,29H,12-13,25H2,1H3