1-imidazol-1-yl-4-(4-iodophenyl)butan-2-one

Systemtic Name: 1-imidazol-1-yl-4-(4-iodophenyl)butan-2-one Openeye Name: 1-imidazol-1-yl-4-(4-iodophenyl)butan-2-one CAS Name: 1-(1-imidazolyl)-4-(4-iodophenyl)-2-butanone IUPAC Name: 1-imidazol-1-yl-4-(4-iodophenyl)butan-2-one Traditional Name: 1-imidazol-1-yl-4-(4-iodophenyl)butan-2-one Formula: C13H13IN2O MolecularWeight: 340.15959

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)CN2C=CN=C2)I

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)CN2C=CN=C2)I

InChI

InChI=1S/C13H13IN2O/c14-12-4-1-11(2-5-12)3-6-13(17)9-16-8-7-15-10-16/h1-2,4-5,7-8,10H,3,6,9H2