[2-(isoquinolin-3-ylamino)-1-naphthalen-1-yl-2-oxidanylidene-ethyl]phosphonic acid

Systemtic Name: [2-(isoquinolin-3-ylamino)-1-naphthalen-1-yl-2-oxidanylidene-ethyl]phosphonic acid Openeye Name: [2-(3-isoquinolylamino)-1-(1-naphthyl)-2-oxo-ethyl]phosphonic acid CAS Name: [2-(3-isoquinolinylamino)-1-(1-naphthalenyl)-2-oxoethyl]phosphonic acid IUPAC Name: [2-(isoquinolin-3-ylamino)-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid Traditional Name: [2-(3-isoquinolylamino)-2-keto-1-(1-naphthyl)ethyl]phosphonic acid Formula: C21H17N2O4P MolecularWeight: 392.344441

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C(C(=O)NC3=CC4=CC=CC=C4C=N3)P(=O)(O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C(C(=O)NC3=CC4=CC=CC=C4C=N3)P(=O)(O)O

InChI

InChI=1S/C21H17N2O4P/c24-21(23-19-12-15-7-1-2-8-16(15)13-22-19)20(28(25,26)27)18-11-5-9-14-6-3-4-10-17(14)18/h1-13,20H,(H,22,23,24)(H2,25,26,27)