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

IUPAC: 2-[(3R,5S)-7-chloro-5-(2-chlorophenyl)-1-(2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]-N-(3-cyanophenyl)acetamide

SMILES: CC(C)(C)CN1C(=O)[C@@H](CC(=O)Nc2cccc(C#N)c2)O[C@H](c2ccccc2Cl)c2cc(Cl)ccc21

Canonical SMILES: CC(C)(C)CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)NC3=CC=CC(=C3)C#N)C4=CC=CC=C4Cl

الصيغة الجزيئية: C29H27Cl2N3O3

الوزن الجزيئي: 536.40

InChIKey: VJVYZFHAKCGVMD-XNMGPUDCSA-N

InChI: InChI=1S/C29H27Cl2N3O3/c1-29(2,3)17-34-24-12-11-19(30)14-22(24)27(21-9-4-5-10-23(21)31)37-25(28(34)36)15-26(35)33-20-8-6-7-18(13-20)16-32/h4-14,25,27H,15,17H2,1-3H3,(H,33,35)/t25-,27-/m1/s1

PubChem CID: 69946147 →

مرادفات

SCHEMBL6955037VJVYZFHAKCGVMD-XNMGPUDCSA-Ntrans-7-chloro-5-(2-chlorophenyl)-3-(3-cyanophenylaminocarbonylmethyl)-1-neopentyl-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepine

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