6-[3-[(4-chloranylpyridin-2-yl)methylamino]-2-oxidanyl-propoxy]-1H-quinolin-2-one hydrate

Systemtic Name: 6-[3-[(4-chloranylpyridin-2-yl)methylamino]-2-oxidanyl-propoxy]-1H-quinolin-2-one hydrate Openeye Name: 6-[3-[(4-chloro-2-pyridyl)methylamino]-2-hydroxy-propoxy]-1H-quinolin-2-one hydrate CAS Name: 6-[3-[(4-chloro-2-pyridinyl)methylamino]-2-hydroxypropoxy]-1H-quinolin-2-one hydrate IUPAC Name: 6-[3-[(4-chloropyridin-2-yl)methylamino]-2-hydroxypropoxy]-1H-quinolin-2-one hydrate Traditional Name: 6-[3-[(4-chloro-2-pyridyl)methylamino]-2-hydroxy-propoxy]carbostyril hydrate Formula: C18H20ClN3O4 MolecularWeight: 377.8221

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=O)N2)C=C1OCC(CNCC3=NC=CC(=C3)Cl)O.O

Isomeric SMILES

C1=CC2=C(C=CC(=O)N2)C=C1OCC(CNCC3=NC=CC(=C3)Cl)O.O

InChI

InChI=1S/C18H18ClN3O3.H2O/c19-13-5-6-21-14(8-13)9-20-10-15(23)11-25-16-2-3-17-12(7-16)1-4-18(24)22-17;/h1-8,15,20,23H,9-11H2,(H,22,24);1H2