4-[[4-[N-(2-adamantyl)-C-methyl-carbonimidoyl]phenyl]diazenyl]-3-methyl-1,4-dihydropyrazol-5-one

Systemtic Name: 4-[[4-[N-(2-adamantyl)-C-methyl-carbonimidoyl]phenyl]diazenyl]-3-methyl-1,4-dihydropyrazol-5-one Openeye Name: 4-[4-[N-(2-adamantyl)-C-methyl-carbonimidoyl]phenyl]azo-3-methyl-1,4-dihydropyrazol-5-one CAS Name: 4-[4-[1-(2-adamantylimino)ethyl]phenyl]azo-3-methyl-1,4-dihydropyrazol-5-one IUPAC Name: 4-[[4-[N-(2-adamantyl)-C-methylcarbonimidoyl]phenyl]diazenyl]-3-methyl-1,4-dihydropyrazol-5-one Traditional Name: 4-[4-[N-(2-adamantyl)-C-methyl-carbonimidoyl]phenyl]azo-5-methyl-2-pyrazolin-3-one Formula: C22H27N5O MolecularWeight: 377.48268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=O)C1N=NC2=CC=C(C=C2)C(=NC3C4CC5CC(C4)CC3C5)C

Isomeric SMILES

CC1=NNC(=O)C1N=NC2=CC=C(C=C2)C(=NC3C4CC5CC(C4)CC3C5)C

InChI

InChI=1S/C22H27N5O/c1-12(23-21-17-8-14-7-15(10-17)11-18(21)9-14)16-3-5-19(6-4-16)25-26-20-13(2)24-27-22(20)28/h3-6,14-15,17-18,20-21H,7-11H2,1-2H3,(H,27,28)