1-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-iodanyl-3,5-dimethyl-pyrazol-1-yl)butan-1-one

Systemtic Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-iodanyl-3,5-dimethyl-pyrazol-1-yl)butan-1-one Openeye Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-iodo-3,5-dimethyl-pyrazol-1-yl)butan-1-one CAS Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-iodo-3,5-dimethyl-1-pyrazolyl)-1-butanone IUPAC Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-iodo-3,5-dimethylpyrazol-1-yl)butan-1-one Traditional Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-iodo-3,5-dimethyl-pyrazol-1-yl)butan-1-one Formula: C18H22IN3O MolecularWeight: 423.29125

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCC(=O)N2CCCC3=CC=CC=C32)C)I

Isomeric SMILES

CC1=C(C(=NN1CCCC(=O)N2CCCC3=CC=CC=C32)C)I

InChI

InChI=1S/C18H22IN3O/c1-13-18(19)14(2)22(20-13)12-6-10-17(23)21-11-5-8-15-7-3-4-9-16(15)21/h3-4,7,9H,5-6,8,10-12H2,1-2H3