(3R,4R)-7-chloranyl-4-(4-methoxyphenyl)-3-oxidanyl-1,3,4,5-tetrahydro-1-benzazepin-2-one

Systemtic Name: (3R,4R)-7-chloranyl-4-(4-methoxyphenyl)-3-oxidanyl-1,3,4,5-tetrahydro-1-benzazepin-2-one Openeye Name: (3R,4R)-7-chloro-3-hydroxy-4-(4-methoxyphenyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one CAS Name: (3R,4R)-7-chloro-3-hydroxy-4-(4-methoxyphenyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one IUPAC Name: (3R,4R)-7-chloro-3-hydroxy-4-(4-methoxyphenyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one Traditional Name: (3R,4R)-7-chloro-3-hydroxy-4-(4-methoxyphenyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one Formula: C17H16ClNO3 MolecularWeight: 317.76684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC3=C(C=CC(=C3)Cl)NC(=O)C2O

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CC3=C(C=CC(=C3)Cl)NC(=O)[C@@H]2O

InChI

InChI=1S/C17H16ClNO3/c1-22-13-5-2-10(3-6-13)14-9-11-8-12(18)4-7-15(11)19-17(21)16(14)20/h2-8,14,16,20H,9H2,1H3,(H,19,21)/t14-,16-/m1/s1