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

Systemtic Name: 1-pyridin-2-yl-3-(2,4,4-trimethylpentyl)-6,7-dihydro-5H-indazol-4-one Openeye Name: 1-(2-pyridyl)-3-(2,4,4-trimethylpentyl)-6,7-dihydro-5H-indazol-4-one CAS Name: 1-(2-pyridinyl)-3-(2,4,4-trimethylpentyl)-6,7-dihydro-5H-indazol-4-one IUPAC Name: 1-pyridin-2-yl-3-(2,4,4-trimethylpentyl)-6,7-dihydro-5H-indazol-4-one Traditional Name: 1-(2-pyridyl)-3-(2,4,4-trimethylpentyl)-6,7-dihydro-5H-indazol-4-one Formula: C20H27N3O MolecularWeight: 325.44788

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=NN(C2=C1C(=O)CCC2)C3=CC=CC=N3)CC(C)(C)C

Isomeric SMILES

CC(CC1=NN(C2=C1C(=O)CCC2)C3=CC=CC=N3)CC(C)(C)C

InChI

InChI=1S/C20H27N3O/c1-14(13-20(2,3)4)12-15-19-16(8-7-9-17(19)24)23(22-15)18-10-5-6-11-21-18/h5-6,10-11,14H,7-9,12-13H2,1-4H3