3-(4-chlorophenyl)-2,5-dimethyl-6-(phenylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 3-(4-chlorophenyl)-2,5-dimethyl-6-(phenylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 6-benzyl-3-(4-chlorophenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 3-(4-chlorophenyl)-2,5-dimethyl-6-(phenylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 6-benzyl-3-(4-chlorophenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 6-benzyl-3-(4-chlorophenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C21H18ClN3O MolecularWeight: 363.84012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C(=O)N2N1)CC3=CC=CC=C3)C)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C2=NC(=C(C(=O)N2N1)CC3=CC=CC=C3)C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H18ClN3O/c1-13-18(12-15-6-4-3-5-7-15)21(26)25-20(23-13)19(14(2)24-25)16-8-10-17(22)11-9-16/h3-11,24H,12H2,1-2H3