5-methyl-2-phenyl-6-(phenylmethyl)-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-7-one

Systemtic Name: 5-methyl-2-phenyl-6-(phenylmethyl)-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-7-one Openeye Name: 6-benzyl-5-methyl-2-phenyl-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-7-one CAS Name: 5-methyl-2-phenyl-6-(phenylmethyl)-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-7-one IUPAC Name: 6-benzyl-5-methyl-2-phenyl-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-7-one Traditional Name: 6-benzyl-5-methyl-2-phenyl-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=C(C(=O)[N+]2=C(N1)C=C(N2)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)[N+]2=C(N1)C=C(N2)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

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