5-azanyl-2-ethyl-3-methyl-2-(1H-pyrazol-4-yl)-1-(2,4,6-trimethylphenyl)hexan-1-one

Systemtic Name: 5-azanyl-2-ethyl-3-methyl-2-(1H-pyrazol-4-yl)-1-(2,4,6-trimethylphenyl)hexan-1-one Openeye Name: 5-amino-2-ethyl-3-methyl-2-(1H-pyrazol-4-yl)-1-(2,4,6-trimethylphenyl)hexan-1-one CAS Name: 5-amino-2-ethyl-3-methyl-2-(1H-pyrazol-4-yl)-1-(2,4,6-trimethylphenyl)-1-hexanone IUPAC Name: 5-amino-2-ethyl-3-methyl-2-(1H-pyrazol-4-yl)-1-(2,4,6-trimethylphenyl)hexan-1-one Traditional Name: 5-amino-2-ethyl-1-mesityl-3-methyl-2-(1H-pyrazol-4-yl)hexan-1-one Formula: C21H31N3O MolecularWeight: 341.49034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CNN=C1)(C(C)CC(C)N)C(=O)C2=C(C=C(C=C2C)C)C

Isomeric SMILES

CCC(C1=CNN=C1)(C(C)CC(C)N)C(=O)C2=C(C=C(C=C2C)C)C

InChI

InChI=1S/C21H31N3O/c1-7-21(16(5)10-17(6)22,18-11-23-24-12-18)20(25)19-14(3)8-13(2)9-15(19)4/h8-9,11-12,16-17H,7,10,22H2,1-6H3,(H,23,24)