[4-[(3-iodanylphenyl)methyl]-1,4-diazepan-1-yl]-(2-phenoxypyridin-3-yl)methanone

Systemtic Name: [4-[(3-iodanylphenyl)methyl]-1,4-diazepan-1-yl]-(2-phenoxypyridin-3-yl)methanone Openeye Name: [4-[(3-iodophenyl)methyl]-1,4-diazepan-1-yl]-(2-phenoxy-3-pyridyl)methanone CAS Name: [4-[(3-iodophenyl)methyl]-1,4-diazepan-1-yl]-(2-phenoxy-3-pyridinyl)methanone IUPAC Name: [4-[(3-iodophenyl)methyl]-1,4-diazepan-1-yl]-(2-phenoxypyridin-3-yl)methanone Traditional Name: [4-(3-iodobenzyl)-1,4-diazepan-1-yl]-(2-phenoxy-3-pyridyl)methanone Formula: C24H24IN3O2 MolecularWeight: 513.37073

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=C(N=CC=C2)OC3=CC=CC=C3)CC4=CC(=CC=C4)I

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=C(N=CC=C2)OC3=CC=CC=C3)CC4=CC(=CC=C4)I

InChI

InChI=1S/C24H24IN3O2/c25-20-8-4-7-19(17-20)18-27-13-6-14-28(16-15-27)24(29)22-11-5-12-26-23(22)30-21-9-2-1-3-10-21/h1-5,7-12,17H,6,13-16,18H2