2,5-dimethyl-3-phenyl-6-(phenylmethyl)-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-7-one

Systemtic Name: 2,5-dimethyl-3-phenyl-6-(phenylmethyl)-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-7-one Openeye Name: 6-benzyl-2,5-dimethyl-3-phenyl-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-7-one CAS Name: 2,5-dimethyl-3-phenyl-6-(phenylmethyl)-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-7-one IUPAC Name: 6-benzyl-2,5-dimethyl-3-phenyl-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-7-one Traditional Name: 6-benzyl-2,5-dimethyl-3-phenyl-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-7-one Formula: C21H20N3O+ MolecularWeight: 330.403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O/c1-14-18(13-16-9-5-3-6-10-16)21(25)24-20(22-14)19(15(2)23-24)17-11-7-4-8-12-17/h3-12H,13H2,1-2H3,(H,22,23,25)/p+1