6-[(4-chlorophenyl)-(1H-imidazol-5-yl)-oxidanyl-methyl]-1-methyl-4-phenyl-quinolin-2-one hydrate

Systemtic Name: 6-[(4-chlorophenyl)-(1H-imidazol-5-yl)-oxidanyl-methyl]-1-methyl-4-phenyl-quinolin-2-one hydrate Openeye Name: 6-[(4-chlorophenyl)-hydroxy-(1H-imidazol-5-yl)methyl]-1-methyl-4-phenyl-quinolin-2-one hydrate CAS Name: 6-[(4-chlorophenyl)-hydroxy-(1H-imidazol-5-yl)methyl]-1-methyl-4-phenyl-2-quinolinone hydrate IUPAC Name: 6-[(4-chlorophenyl)-hydroxy-(1H-imidazol-5-yl)methyl]-1-methyl-4-phenylquinolin-2-one hydrate Traditional Name: 6-[(4-chlorophenyl)-hydroxy-(1H-imidazol-5-yl)methyl]-1-methyl-4-phenyl-carbostyril hydrate Formula: C26H22ClN3O3 MolecularWeight: 459.92418

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(C3=CC=C(C=C3)Cl)(C4=CN=CN4)O)C(=CC1=O)C5=CC=CC=C5.O

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(C3=CC=C(C=C3)Cl)(C4=CN=CN4)O)C(=CC1=O)C5=CC=CC=C5.O

InChI

InChI=1S/C26H20ClN3O2.H2O/c1-30-23-12-9-19(13-22(23)21(14-25(30)31)17-5-3-2-4-6-17)26(32,24-15-28-16-29-24)18-7-10-20(27)11-8-18;/h2-16,32H,1H3,(H,28,29);1H2