4-ethyl-5-[(4-methylpyrazol-1-yl)methyl]-3,3-diphenyl-oxolan-2-one chloride hydrate

Systemtic Name: 4-ethyl-5-[(4-methylpyrazol-1-yl)methyl]-3,3-diphenyl-oxolan-2-one chloride hydrate Openeye Name: 4-ethyl-5-[(4-methylpyrazol-1-yl)methyl]-3,3-diphenyl-tetrahydrofuran-2-one chloride hydrate CAS Name: 4-ethyl-5-[(4-methyl-1-pyrazolyl)methyl]-3,3-diphenyl-2-oxolanone chloride hydrate IUPAC Name: 4-ethyl-5-[(4-methylpyrazol-1-yl)methyl]-3,3-diphenyloxolan-2-one chloride hydrate Traditional Name: 4-ethyl-5-[(4-methylpyrazol-1-yl)methyl]-3,3-diphenyl-tetrahydrofuran-2-one chloride hydrate Formula: C23H26ClN2O3- MolecularWeight: 413.91714

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(OC(=O)C1(C2=CC=CC=C2)C3=CC=CC=C3)CN4C=C(C=N4)C.O.[Cl-]

Isomeric SMILES

CCC1C(OC(=O)C1(C2=CC=CC=C2)C3=CC=CC=C3)CN4C=C(C=N4)C.O.[Cl-]

InChI

InChI=1S/C23H24N2O2.ClH.H2O/c1-3-20-21(16-25-15-17(2)14-24-25)27-22(26)23(20,18-10-6-4-7-11-18)19-12-8-5-9-13-19;;/h4-15,20-21H,3,16H2,1-2H3;1H;1H2/p-1