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

Systemtic Name: 3-azanyl-4-cyano-2-[2-(3-methoxyphenyl)ethyl]-N-oxidanyl-1-oxidanylidene-isoquinolin-7-amine oxide Openeye Name: 3-amino-4-cyano-N-hydroxy-2-[2-(3-methoxyphenyl)ethyl]-1-oxo-isoquinolin-7-amine oxide CAS Name: 3-amino-4-cyano-N-hydroxy-2-[2-(3-methoxyphenyl)ethyl]-1-oxo-7-isoquinolinamine oxide IUPAC Name: 3-amino-4-cyano-N-hydroxy-2-[2-(3-methoxyphenyl)ethyl]-1-oxoisoquinolin-7-amine oxide Traditional Name: 3-amino-4-cyano-N-hydroxy-1-keto-2-[2-(3-methoxyphenyl)ethyl]isoquinolin-7-amine oxide Formula: C19H18N4O4 MolecularWeight: 366.37062

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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-])C#N)N

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O4/c1-27-14-4-2-3-12(9-14)7-8-22-18(21)17(11-20)15-6-5-13(23(25)26)10-16(15)19(22)24/h2-6,9-10,23,25H,7-8,21H2,1H3