N-[1-(cyanomethylamino)-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-3-iodanyl-benzamide

Systemtic Name: N-[1-(cyanomethylamino)-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-3-iodanyl-benzamide Openeye Name: N-[2-(cyanomethylamino)-1-(cyclohexylmethyl)-2-oxo-ethyl]-3-iodo-benzamide CAS Name: N-[1-(cyanomethylamino)-3-cyclohexyl-1-oxopropan-2-yl]-3-iodobenzamide IUPAC Name: N-[1-(cyanomethylamino)-3-cyclohexyl-1-oxopropan-2-yl]-3-iodobenzamide Traditional Name: N-[2-(cyanomethylamino)-1-(cyclohexylmethyl)-2-keto-ethyl]-3-iodo-benzamide Formula: C18H22IN3O2 MolecularWeight: 439.29065

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NCC#N)NC(=O)C2=CC(=CC=C2)I

Isomeric SMILES

C1CCC(CC1)CC(C(=O)NCC#N)NC(=O)C2=CC(=CC=C2)I

InChI

InChI=1S/C18H22IN3O2/c19-15-8-4-7-14(12-15)17(23)22-16(18(24)21-10-9-20)11-13-5-2-1-3-6-13/h4,7-8,12-13,16H,1-3,5-6,10-11H2,(H,21,24)(H,22,23)