4-[2-[cyano(phenyl)methyl]-2-adamantyl]-5-oxidanylidene-1,2-dihydropyrazole-3-carbonitrile

Systemtic Name: 4-[2-[cyano(phenyl)methyl]-2-adamantyl]-5-oxidanylidene-1,2-dihydropyrazole-3-carbonitrile Openeye Name: 4-[2-[cyano(phenyl)methyl]-2-adamantyl]-5-oxo-1,2-dihydropyrazole-3-carbonitrile CAS Name: 4-[2-[cyano(phenyl)methyl]-2-adamantyl]-5-oxo-1,2-dihydropyrazole-3-carbonitrile IUPAC Name: 4-[2-[cyano(phenyl)methyl]-2-adamantyl]-5-oxo-1,2-dihydropyrazole-3-carbonitrile Traditional Name: 4-[2-[cyano(phenyl)methyl]-2-adamantyl]-5-keto-3-pyrazoline-3-carbonitrile Formula: C22H22N4O MolecularWeight: 358.43628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3(C4=C(NNC4=O)C#N)C(C#N)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)C3(C4=C(NNC4=O)C#N)C(C#N)C5=CC=CC=C5

InChI

InChI=1S/C22H22N4O/c23-11-18(15-4-2-1-3-5-15)22(20-19(12-24)25-26-21(20)27)16-7-13-6-14(9-16)10-17(22)8-13/h1-5,13-14,16-18H,6-10H2,(H2,25,26,27)