7-iodanyl-4-(4-oxidanylbutan-2-yl)-2-(phenylmethyl)-2,3-dihydro-1,4-benzoxazepin-5-one

Systemtic Name: 7-iodanyl-4-(4-oxidanylbutan-2-yl)-2-(phenylmethyl)-2,3-dihydro-1,4-benzoxazepin-5-one Openeye Name: 2-benzyl-4-(3-hydroxy-1-methyl-propyl)-7-iodo-2,3-dihydro-1,4-benzoxazepin-5-one CAS Name: 4-(4-hydroxybutan-2-yl)-7-iodo-2-(phenylmethyl)-2,3-dihydro-1,4-benzoxazepin-5-one IUPAC Name: 2-benzyl-4-(4-hydroxybutan-2-yl)-7-iodo-2,3-dihydro-1,4-benzoxazepin-5-one Traditional Name: 2-benzyl-4-(3-hydroxy-1-methyl-propyl)-7-iodo-2,3-dihydro-1,4-benzoxazepin-5-one Formula: C20H22INO3 MolecularWeight: 451.29805

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCO)N1CC(OC2=C(C1=O)C=C(C=C2)I)CC3=CC=CC=C3

Isomeric SMILES

CC(CCO)N1CC(OC2=C(C1=O)C=C(C=C2)I)CC3=CC=CC=C3

InChI

InChI=1S/C20H22INO3/c1-14(9-10-23)22-13-17(11-15-5-3-2-4-6-15)25-19-8-7-16(21)12-18(19)20(22)24/h2-8,12,14,17,23H,9-11,13H2,1H3