N-(4-fluorophenyl)-2-[4-(2-iodanyl-3-methyl-phenyl)carbonyl-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-[4-(2-iodanyl-3-methyl-phenyl)carbonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(4-fluorophenyl)-2-[4-(2-iodo-3-methyl-benzoyl)-1,4-diazepan-1-yl]acetamide CAS Name: N-(4-fluorophenyl)-2-[4-[(2-iodo-3-methylphenyl)-oxomethyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[4-(2-iodo-3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-(4-fluorophenyl)-2-[4-(2-iodo-3-methyl-benzoyl)-1,4-diazepan-1-yl]acetamide Formula: C21H23FIN3O2 MolecularWeight: 495.329093

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1I)C(=O)N2CCCN(CC2)CC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=CC(=C1I)C(=O)N2CCCN(CC2)CC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C21H23FIN3O2/c1-15-4-2-5-18(20(15)23)21(28)26-11-3-10-25(12-13-26)14-19(27)24-17-8-6-16(22)7-9-17/h2,4-9H,3,10-14H2,1H3,(H,24,27)