N-(2-iodanylphenyl)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-(2-iodanylphenyl)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carboxamide Openeye Name: N-(2-iodophenyl)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carboxamide CAS Name: N-(2-iodophenyl)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(2-iodophenyl)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carboxamide Traditional Name: N-(2-iodophenyl)-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carboxamide Formula: C21H22IN5O2 MolecularWeight: 503.33615

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC=CC=C2I)CC3=NOC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC=CC=C2I)CC3=NOC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H22IN5O2/c22-17-9-4-5-10-18(17)23-21(28)27-12-6-11-26(13-14-27)15-19-24-20(29-25-19)16-7-2-1-3-8-16/h1-5,7-10H,6,11-15H2,(H,23,28)