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

Systemtic Name: 3-azanyl-N-oxidanyl-1-oxidanylidene-2-(1-phenylethyl)-4-pyridin-2-yl-isoquinolin-7-amine oxide Openeye Name: 3-amino-N-hydroxy-1-oxo-2-(1-phenylethyl)-4-(2-pyridyl)isoquinolin-7-amine oxide CAS Name: 3-amino-N-hydroxy-1-oxo-2-(1-phenylethyl)-4-(2-pyridinyl)-7-isoquinolinamine oxide IUPAC Name: 3-amino-N-hydroxy-1-oxo-2-(1-phenylethyl)-4-pyridin-2-ylisoquinolin-7-amine oxide Traditional Name: 3-amino-N-hydroxy-1-keto-2-(1-phenylethyl)-4-(2-pyridyl)isoquinolin-7-amine oxide Formula: C22H20N4O3 MolecularWeight: 388.4192

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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-])C4=CC=CC=N4)N

Isomeric SMILES

CC(C1=CC=CC=C1)N2C(=C(C3=C(C2=O)C=C(C=C3)[NH+](O)[O-])C4=CC=CC=N4)N

InChI

InChI=1S/C22H20N4O3/c1-14(15-7-3-2-4-8-15)25-21(23)20(19-9-5-6-12-24-19)17-11-10-16(26(28)29)13-18(17)22(25)27/h2-14,26,28H,23H2,1H3