3-azanyl-4-cyano-N-oxidanyl-1-oxidanylidene-2-(1-phenylethyl)isoquinolin-7-amine oxide

Systemtic Name: 3-azanyl-4-cyano-N-oxidanyl-1-oxidanylidene-2-(1-phenylethyl)isoquinolin-7-amine oxide Openeye Name: 3-amino-4-cyano-N-hydroxy-1-oxo-2-(1-phenylethyl)isoquinolin-7-amine oxide CAS Name: 3-amino-4-cyano-N-hydroxy-1-oxo-2-(1-phenylethyl)-7-isoquinolinamine oxide IUPAC Name: 3-amino-4-cyano-N-hydroxy-1-oxo-2-(1-phenylethyl)isoquinolin-7-amine oxide Traditional Name: 3-amino-4-cyano-N-hydroxy-1-keto-2-(1-phenylethyl)isoquinolin-7-amine oxide Formula: C18H16N4O3 MolecularWeight: 336.34464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C(=C(C3=C(C2=O)C=C(C=C3)[NH+](O)[O-])C#N)N

Isomeric SMILES

CC(C1=CC=CC=C1)N2C(=C(C3=C(C2=O)C=C(C=C3)[NH+](O)[O-])C#N)N

InChI

InChI=1S/C18H16N4O3/c1-11(12-5-3-2-4-6-12)21-17(20)16(10-19)14-8-7-13(22(24)25)9-15(14)18(21)23/h2-9,11,22,24H,20H2,1H3