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

Systemtic Name: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2-iodanylphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-[(3,5-dimethylisoxazol-4-yl)methyl]-N-(2-iodophenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[(3,5-dimethyl-4-isoxazolyl)methyl]-N-(2-iodophenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2-iodophenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-[(3,5-dimethylisoxazol-4-yl)methyl]-N-(2-iodophenyl)-1,4-diazepane-1-carboxamide Formula: C18H23IN4O2 MolecularWeight: 454.30529

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CN2CCCN(CC2)C(=O)NC3=CC=CC=C3I

Isomeric SMILES

CC1=C(C(=NO1)C)CN2CCCN(CC2)C(=O)NC3=CC=CC=C3I

InChI

InChI=1S/C18H23IN4O2/c1-13-15(14(2)25-21-13)12-22-8-5-9-23(11-10-22)18(24)20-17-7-4-3-6-16(17)19/h3-4,6-7H,5,8-12H2,1-2H3,(H,20,24)