4-[(3-iodanylphenyl)methyl]-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[(3-iodanylphenyl)methyl]-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-[(3-iodophenyl)methyl]-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[(3-iodophenyl)methyl]-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[(3-iodophenyl)methyl]-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(3-iodobenzyl)-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide Formula: C19H21IN4O3 MolecularWeight: 480.29951

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC(=CC=C3)I

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC(=CC=C3)I

InChI

InChI=1S/C19H21IN4O3/c20-16-4-1-3-15(13-16)14-22-9-2-10-23(12-11-22)19(25)21-17-5-7-18(8-6-17)24(26)27/h1,3-8,13H,2,9-12,14H2,(H,21,25)