N-(3-imidazol-1-ylphenyl)-7-iodanyl-2,3-dihydro-1-benzoxepine-4-carboxamide

Systemtic Name: N-(3-imidazol-1-ylphenyl)-7-iodanyl-2,3-dihydro-1-benzoxepine-4-carboxamide Openeye Name: N-(3-imidazol-1-ylphenyl)-7-iodo-2,3-dihydro-1-benzoxepine-4-carboxamide CAS Name: N-[3-(1-imidazolyl)phenyl]-7-iodo-2,3-dihydro-1-benzoxepin-4-carboxamide IUPAC Name: N-(3-imidazol-1-ylphenyl)-7-iodo-2,3-dihydro-1-benzoxepine-4-carboxamide Traditional Name: N-(3-imidazol-1-ylphenyl)-7-iodo-2,3-dihydro-1-benzoxepin-4-carboxamide Formula: C20H16IN3O2 MolecularWeight: 457.26441

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C1C(=O)NC3=CC=CC(=C3)N4C=CN=C4)C=C(C=C2)I

Isomeric SMILES

C1COC2=C(C=C1C(=O)NC3=CC=CC(=C3)N4C=CN=C4)C=C(C=C2)I

InChI

InChI=1S/C20H16IN3O2/c21-16-4-5-19-15(11-16)10-14(6-9-26-19)20(25)23-17-2-1-3-18(12-17)24-8-7-22-13-24/h1-5,7-8,10-13H,6,9H2,(H,23,25)