4-methyl-3,3-diphenyl-5-(pyrazol-1-ylmethyl)oxolan-2-one chloride hydrate

Systemtic Name: 4-methyl-3,3-diphenyl-5-(pyrazol-1-ylmethyl)oxolan-2-one chloride hydrate Openeye Name: 4-methyl-3,3-diphenyl-5-(pyrazol-1-ylmethyl)tetrahydrofuran-2-one chloride hydrate CAS Name: 4-methyl-3,3-diphenyl-5-(1-pyrazolylmethyl)-2-oxolanone chloride hydrate IUPAC Name: 4-methyl-3,3-diphenyl-5-(pyrazol-1-ylmethyl)oxolan-2-one chloride hydrate Traditional Name: 4-methyl-3,3-diphenyl-5-(pyrazol-1-ylmethyl)tetrahydrofuran-2-one chloride hydrate Formula: C21H22ClN2O3- MolecularWeight: 385.86398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O2.ClH.H2O/c1-16-19(15-23-14-8-13-22-23)25-20(24)21(16,17-9-4-2-5-10-17)18-11-6-3-7-12-18;;/h2-14,16,19H,15H2,1H3;1H;1H2/p-1