6-methyl-1-pyridin-2-yl-3-(2,4,4-trimethylpentyl)-6,7-dihydro-5H-indazol-4-one

Systemtic Name: 6-methyl-1-pyridin-2-yl-3-(2,4,4-trimethylpentyl)-6,7-dihydro-5H-indazol-4-one Openeye Name: 6-methyl-1-(2-pyridyl)-3-(2,4,4-trimethylpentyl)-6,7-dihydro-5H-indazol-4-one CAS Name: 6-methyl-1-(2-pyridinyl)-3-(2,4,4-trimethylpentyl)-6,7-dihydro-5H-indazol-4-one IUPAC Name: 6-methyl-1-pyridin-2-yl-3-(2,4,4-trimethylpentyl)-6,7-dihydro-5H-indazol-4-one Traditional Name: 6-methyl-1-(2-pyridyl)-3-(2,4,4-trimethylpentyl)-6,7-dihydro-5H-indazol-4-one Formula: C21H29N3O MolecularWeight: 339.47446

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C(=O)C1)C(=NN2C3=CC=CC=N3)CC(C)CC(C)(C)C

Isomeric SMILES

CC1CC2=C(C(=O)C1)C(=NN2C3=CC=CC=N3)CC(C)CC(C)(C)C

InChI

InChI=1S/C21H29N3O/c1-14-11-17-20(18(25)12-14)16(10-15(2)13-21(3,4)5)23-24(17)19-8-6-7-9-22-19/h6-9,14-15H,10-13H2,1-5H3