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

Systemtic Name: 7-iodanyl-4-(3-oxidanylpropyl)-2-(phenylmethyl)-2,3-dihydro-1,4-benzoxazepin-5-one Openeye Name: 2-benzyl-4-(3-hydroxypropyl)-7-iodo-2,3-dihydro-1,4-benzoxazepin-5-one CAS Name: 4-(3-hydroxypropyl)-7-iodo-2-(phenylmethyl)-2,3-dihydro-1,4-benzoxazepin-5-one IUPAC Name: 2-benzyl-4-(3-hydroxypropyl)-7-iodo-2,3-dihydro-1,4-benzoxazepin-5-one Traditional Name: 2-benzyl-4-(3-hydroxypropyl)-7-iodo-2,3-dihydro-1,4-benzoxazepin-5-one Formula: C19H20INO3 MolecularWeight: 437.27147

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(C=C(C=C2)I)C(=O)N1CCCO)CC3=CC=CC=C3

Isomeric SMILES

C1C(OC2=C(C=C(C=C2)I)C(=O)N1CCCO)CC3=CC=CC=C3

InChI

InChI=1S/C19H20INO3/c20-15-7-8-18-17(12-15)19(23)21(9-4-10-22)13-16(24-18)11-14-5-2-1-3-6-14/h1-3,5-8,12,16,22H,4,9-11,13H2