7-[2,3-bis(oxidanyl)propylamino]-3-phenyl-2H-isoquinolin-1-one

Systemtic Name: 7-[2,3-bis(oxidanyl)propylamino]-3-phenyl-2H-isoquinolin-1-one Openeye Name: 7-(2,3-dihydroxypropylamino)-3-phenyl-2H-isoquinolin-1-one CAS Name: 7-(2,3-dihydroxypropylamino)-3-phenyl-2H-isoquinolin-1-one IUPAC Name: 7-(2,3-dihydroxypropylamino)-3-phenyl-2H-isoquinolin-1-one Traditional Name: 7-(glycerylamino)-3-phenyl-isocarbostyril Formula: C18H18N2O3 MolecularWeight: 310.34712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(C=C(C=C3)NCC(CO)O)C(=O)N2

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(C=C(C=C3)NCC(CO)O)C(=O)N2

InChI

InChI=1S/C18H18N2O3/c21-11-15(22)10-19-14-7-6-13-8-17(12-4-2-1-3-5-12)20-18(23)16(13)9-14/h1-9,15,19,21-22H,10-11H2,(H,20,23)