3-butyl-1-(5-chloranyl-2-methoxy-phenyl)-6,6-dimethyl-5,7-dihydroindazol-4-one

Systemtic Name: 3-butyl-1-(5-chloranyl-2-methoxy-phenyl)-6,6-dimethyl-5,7-dihydroindazol-4-one Openeye Name: 3-butyl-1-(5-chloro-2-methoxy-phenyl)-6,6-dimethyl-5,7-dihydroindazol-4-one CAS Name: 3-butyl-1-(5-chloro-2-methoxyphenyl)-6,6-dimethyl-5,7-dihydroindazol-4-one IUPAC Name: 3-butyl-1-(5-chloro-2-methoxyphenyl)-6,6-dimethyl-5,7-dihydroindazol-4-one Traditional Name: 3-butyl-1-(5-chloro-2-methoxy-phenyl)-6,6-dimethyl-5,7-dihydroindazol-4-one Formula: C20H25ClN2O2 MolecularWeight: 360.8777

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C2=C1C(=O)CC(C2)(C)C)C3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CCCCC1=NN(C2=C1C(=O)CC(C2)(C)C)C3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C20H25ClN2O2/c1-5-6-7-14-19-16(11-20(2,3)12-17(19)24)23(22-14)15-10-13(21)8-9-18(15)25-4/h8-10H,5-7,11-12H2,1-4H3