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

Systemtic Name: 6-[1-(4-chlorophenyl)-1-imidazol-1-yl-2-oxidanyl-ethyl]-1-methyl-4-phenyl-quinolin-2-one hydrate Openeye Name: 6-[1-(4-chlorophenyl)-2-hydroxy-1-imidazol-1-yl-ethyl]-1-methyl-4-phenyl-quinolin-2-one hydrate CAS Name: 6-[1-(4-chlorophenyl)-2-hydroxy-1-(1-imidazolyl)ethyl]-1-methyl-4-phenyl-2-quinolinone hydrate IUPAC Name: 6-[1-(4-chlorophenyl)-2-hydroxy-1-imidazol-1-ylethyl]-1-methyl-4-phenylquinolin-2-one hydrate Traditional Name: 6-[1-(4-chlorophenyl)-2-hydroxy-1-imidazol-1-yl-ethyl]-1-methyl-4-phenyl-carbostyril hydrate Formula: C27H24ClN3O3 MolecularWeight: 473.95076

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(CO)(C3=CC=C(C=C3)Cl)N4C=CN=C4)C(=CC1=O)C5=CC=CC=C5.O

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(CO)(C3=CC=C(C=C3)Cl)N4C=CN=C4)C(=CC1=O)C5=CC=CC=C5.O

InChI

InChI=1S/C27H22ClN3O2.H2O/c1-30-25-12-9-21(15-24(25)23(16-26(30)33)19-5-3-2-4-6-19)27(17-32,31-14-13-29-18-31)20-7-10-22(28)11-8-20;/h2-16,18,32H,17H2,1H3;1H2