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

Systemtic Name: 4-methyl-5-[(4-methylpyrazol-1-yl)methyl]-3,3-diphenyl-oxolan-2-one chloride hydrate Openeye Name: 4-methyl-5-[(4-methylpyrazol-1-yl)methyl]-3,3-diphenyl-tetrahydrofuran-2-one chloride hydrate CAS Name: 4-methyl-5-[(4-methyl-1-pyrazolyl)methyl]-3,3-diphenyl-2-oxolanone chloride hydrate IUPAC Name: 4-methyl-5-[(4-methylpyrazol-1-yl)methyl]-3,3-diphenyloxolan-2-one chloride hydrate Traditional Name: 4-methyl-5-[(4-methylpyrazol-1-yl)methyl]-3,3-diphenyl-tetrahydrofuran-2-one chloride hydrate Formula: C22H24ClN2O3- MolecularWeight: 399.89056

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC(=O)C1(C2=CC=CC=C2)C3=CC=CC=C3)CN4C=C(C=N4)C.O.[Cl-]

Isomeric SMILES

CC1C(OC(=O)C1(C2=CC=CC=C2)C3=CC=CC=C3)CN4C=C(C=N4)C.O.[Cl-]

InChI

InChI=1S/C22H22N2O2.ClH.H2O/c1-16-13-23-24(14-16)15-20-17(2)22(21(25)26-20,18-9-5-3-6-10-18)19-11-7-4-8-12-19;;/h3-14,17,20H,15H2,1-2H3;1H;1H2/p-1