1-(4-iodophenyl)-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one

Systemtic Name: 1-(4-iodophenyl)-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one Openeye Name: 1-(4-iodophenyl)-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one CAS Name: 1-(4-iodophenyl)-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one IUPAC Name: 1-(4-iodophenyl)-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one Traditional Name: 1-(4-iodophenyl)-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one Formula: C18H21IN2O MolecularWeight: 408.27661

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1C(=O)CC(C2)(C)C)C3=CC=C(C=C3)I

Isomeric SMILES

CCCC1=NN(C2=C1C(=O)CC(C2)(C)C)C3=CC=C(C=C3)I

InChI

InChI=1S/C18H21IN2O/c1-4-5-14-17-15(10-18(2,3)11-16(17)22)21(20-14)13-8-6-12(19)7-9-13/h6-9H,4-5,10-11H2,1-3H3