4-chloranyl-4-phenyl-3-(phenylmethyl)-1H-pyrazol-5-one

Systemtic Name: 4-chloranyl-4-phenyl-3-(phenylmethyl)-1H-pyrazol-5-one Openeye Name: 3-benzyl-4-chloro-4-phenyl-1H-pyrazol-5-one CAS Name: 4-chloro-4-phenyl-3-(phenylmethyl)-1H-pyrazol-5-one IUPAC Name: 3-benzyl-4-chloro-4-phenyl-1H-pyrazol-5-one Traditional Name: 5-benzyl-4-chloro-4-phenyl-2-pyrazolin-3-one Formula: C16H13ClN2O MolecularWeight: 284.74022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NNC(=O)C2(C3=CC=CC=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CC2=NNC(=O)C2(C3=CC=CC=C3)Cl

InChI

InChI=1S/C16H13ClN2O/c17-16(13-9-5-2-6-10-13)14(18-19-15(16)20)11-12-7-3-1-4-8-12/h1-10H,11H2,(H,19,20)