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

Systemtic Name: 3-(4-chlorophenyl)-2-(phenylmethyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 2-benzyl-3-(4-chlorophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 3-(4-chlorophenyl)-2-(phenylmethyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 2-benzyl-3-(4-chlorophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 2-benzyl-3-(4-chlorophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C22H20ClN3O MolecularWeight: 377.8667

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N2C(=N1)C(=C(N2)CC3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCC1=CC(=O)N2C(=N1)C(=C(N2)CC3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H20ClN3O/c1-2-6-18-14-20(27)26-22(24-18)21(16-9-11-17(23)12-10-16)19(25-26)13-15-7-4-3-5-8-15/h3-5,7-12,14,25H,2,6,13H2,1H3