3-[(3,4-diethoxyphenyl)methyl]-1-ethanoyl-6,6-dimethyl-5,7-dihydroindazol-4-one

Systemtic Name: 3-[(3,4-diethoxyphenyl)methyl]-1-ethanoyl-6,6-dimethyl-5,7-dihydroindazol-4-one Openeye Name: 1-acetyl-3-[(3,4-diethoxyphenyl)methyl]-6,6-dimethyl-5,7-dihydroindazol-4-one CAS Name: 1-acetyl-3-[(3,4-diethoxyphenyl)methyl]-6,6-dimethyl-5,7-dihydroindazol-4-one IUPAC Name: 1-acetyl-3-[(3,4-diethoxyphenyl)methyl]-6,6-dimethyl-5,7-dihydroindazol-4-one Traditional Name: 1-acetyl-3-(3,4-diethoxybenzyl)-6,6-dimethyl-5,7-dihydroindazol-4-one Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CC2=NN(C3=C2C(=O)CC(C3)(C)C)C(=O)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CC2=NN(C3=C2C(=O)CC(C3)(C)C)C(=O)C)OCC

InChI

InChI=1S/C22H28N2O4/c1-6-27-19-9-8-15(11-20(19)28-7-2)10-16-21-17(24(23-16)14(3)25)12-22(4,5)13-18(21)26/h8-9,11H,6-7,10,12-13H2,1-5H3