[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-(2-iodanyl-3-methyl-phenyl)methanone

Systemtic Name: [4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-(2-iodanyl-3-methyl-phenyl)methanone Openeye Name: [4-(2-furylmethyl)-1,4-diazepan-1-yl]-(2-iodo-3-methyl-phenyl)methanone CAS Name: [4-(2-furanylmethyl)-1,4-diazepan-1-yl]-(2-iodo-3-methylphenyl)methanone IUPAC Name: [4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-(2-iodo-3-methylphenyl)methanone Traditional Name: [4-(2-furfuryl)-1,4-diazepan-1-yl]-(2-iodo-3-methyl-phenyl)methanone Formula: C18H21IN2O2 MolecularWeight: 424.27601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1I)C(=O)N2CCCN(CC2)CC3=CC=CO3

Isomeric SMILES

CC1=CC=CC(=C1I)C(=O)N2CCCN(CC2)CC3=CC=CO3

InChI

InChI=1S/C18H21IN2O2/c1-14-5-2-7-16(17(14)19)18(22)21-9-4-8-20(10-11-21)13-15-6-3-12-23-15/h2-3,5-7,12H,4,8-11,13H2,1H3