4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-(2-iodanylphenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-(2-iodanylphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-[2-(4-fluoroanilino)-2-oxo-ethyl]-N-(2-iodophenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[2-(4-fluoroanilino)-2-oxoethyl]-N-(2-iodophenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[2-(4-fluoroanilino)-2-oxoethyl]-N-(2-iodophenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-[2-(4-fluoroanilino)-2-keto-ethyl]-N-(2-iodophenyl)-1,4-diazepane-1-carboxamide Formula: C20H22FIN4O2 MolecularWeight: 496.317153

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC=CC=C2I)CC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC=CC=C2I)CC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C20H22FIN4O2/c21-15-6-8-16(9-7-15)23-19(27)14-25-10-3-11-26(13-12-25)20(28)24-18-5-2-1-4-17(18)22/h1-2,4-9H,3,10-14H2,(H,23,27)(H,24,28)