1-(2,3-dihydroindol-1-yl)-4-(4-iodanyl-3,5-dimethyl-pyrazol-1-yl)butan-1-one

Systemtic Name: 1-(2,3-dihydroindol-1-yl)-4-(4-iodanyl-3,5-dimethyl-pyrazol-1-yl)butan-1-one Openeye Name: 1-indolin-1-yl-4-(4-iodo-3,5-dimethyl-pyrazol-1-yl)butan-1-one CAS Name: 1-(2,3-dihydroindol-1-yl)-4-(4-iodo-3,5-dimethyl-1-pyrazolyl)-1-butanone IUPAC Name: 1-(2,3-dihydroindol-1-yl)-4-(4-iodo-3,5-dimethylpyrazol-1-yl)butan-1-one Traditional Name: 1-indolin-1-yl-4-(4-iodo-3,5-dimethyl-pyrazol-1-yl)butan-1-one Formula: C17H20IN3O MolecularWeight: 409.26467

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCC(=O)N2CCC3=CC=CC=C32)C)I

Isomeric SMILES

CC1=C(C(=NN1CCCC(=O)N2CCC3=CC=CC=C32)C)I

InChI

InChI=1S/C17H20IN3O/c1-12-17(18)13(2)21(19-12)10-5-8-16(22)20-11-9-14-6-3-4-7-15(14)20/h3-4,6-7H,5,8-11H2,1-2H3