7-chloranyl-3-[3-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-2-oxidanyl-1H-quinolin-4-one hydrate

Systemtic Name: 7-chloranyl-3-[3-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-2-oxidanyl-1H-quinolin-4-one hydrate Openeye Name: 7-chloro-2-hydroxy-3-[3-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-1H-quinolin-4-one hydrate CAS Name: 7-chloro-2-hydroxy-3-[3-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-1H-quinolin-4-one hydrate IUPAC Name: 7-chloro-2-hydroxy-3-[3-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-1H-quinolin-4-one hydrate Traditional Name: 7-chloro-2-hydroxy-3-[3-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-4-quinolone hydrate Formula: C25H23ClN2O3 MolecularWeight: 434.91472

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(C2=CC=CC=C2C1)C3=CC=CC(=C3)C4=C(NC5=C(C4=O)C=CC(=C5)Cl)O.O

Isomeric SMILES

CN1CC(C2=CC=CC=C2C1)C3=CC=CC(=C3)C4=C(NC5=C(C4=O)C=CC(=C5)Cl)O.O

InChI

InChI=1S/C25H21ClN2O2.H2O/c1-28-13-17-5-2-3-8-19(17)21(14-28)15-6-4-7-16(11-15)23-24(29)20-10-9-18(26)12-22(20)27-25(23)30;/h2-12,21H,13-14H2,1H3,(H2,27,29,30);1H2