CC(C)(C)CN1C(=O)[C@@H](CCO)O[C@H](c2ccccc2Cl)c2cc(Cl)ccc21

Name: trans-7-chloro-5-(2-chlorophenyl)-1-neopentyl-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepine-3-ethanol

IUPAC: (3R,5S)-7-chloro-5-(2-chlorophenyl)-1-(2,2-dimethylpropyl)-3-(2-hydroxyethyl)-5H-4,1-benzoxazepin-2-one

SMILES: CC(C)(C)CN1C(=O)[C@@H](CCO)O[C@H](c2ccccc2Cl)c2cc(Cl)ccc21

Canonical SMILES: CC(C)(C)CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CCO)C3=CC=CC=C3Cl

Summenformel: C22H25Cl2NO3

Molare Masse: 422.30

InChIKey: SCHOXJLZBAQDSC-WOJBJXKFSA-N

InChI:

InChI=1S/C22H25Cl2NO3/c1-22(2,3)13-25-18-9-8-14(23)12-16(18)20(15-6-4-5-7-17(15)24)28-19(10-11-26)21(25)27/h4-9,12,19-20,26H,10-11,13H2,1-3H3/t19-,20-/m1/s1

PubChem CID: 69945756 →

Synonyme

SCHEMBL6953496SCHOXJLZBAQDSC-WOJBJXKFSA-Ntrans-7-chloro-5-(2-chlorophenyl)-1-neopentyl-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepine-3-ethanoltrans-7-chloro-5-(2chlorophenyl)-1-neopentyl-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepine-3-ethanol

An 4 Reaktionen beteiligt→