ethyl 4-[2-[(2S)-7-chloranyl-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(2S)-7-chloranyl-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(2S)-7-chloro-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(2S)-7-chloro-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(2S)-7-chloro-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(2S)-7-chloro-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H26ClN3O4 MolecularWeight: 395.88044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CN2CC(OC3=C(C2)C=C(C=C3)Cl)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CN2C[C@@H](OC3=C(C2)C=C(C=C3)Cl)C

InChI

InChI=1S/C19H26ClN3O4/c1-3-26-19(25)23-8-6-22(7-9-23)18(24)13-21-11-14(2)27-17-5-4-16(20)10-15(17)12-21/h4-5,10,14H,3,6-9,11-13H2,1-2H3/t14-/m0/s1