2-(4-methylphenyl)-5-(phenylmethyl)-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-7-one

Systemtic Name: 2-(4-methylphenyl)-5-(phenylmethyl)-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-7-one Openeye Name: 5-benzyl-2-(p-tolyl)-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-7-one CAS Name: 2-(4-methylphenyl)-5-(phenylmethyl)-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-7-one IUPAC Name: 5-benzyl-2-(4-methylphenyl)-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-7-one Traditional Name: 5-benzyl-2-(p-tolyl)-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-7-one Formula: C20H18N3O+ MolecularWeight: 316.37642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=[N+](N2)C(=O)C=C(N3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=[N+](N2)C(=O)C=C(N3)CC4=CC=CC=C4

InChI

InChI=1S/C20H17N3O/c1-14-7-9-16(10-8-14)18-13-19-21-17(12-20(24)23(19)22-18)11-15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3,(H,21,22,24)/p+1