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

Systemtic Name: ethyl 4-[2-[(2S)-2-ethyl-7-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(2S)-2-ethyl-7-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(2S)-2-ethyl-7-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(2S)-2-ethyl-7-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(2S)-2-ethyl-7-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H31N3O5 MolecularWeight: 405.48794

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CC2=C(O1)C=CC(=C2)OC)CC(=O)N3CCN(CC3)C(=O)OCC

Isomeric SMILES

CC[C@H]1CN(CC2=C(O1)C=CC(=C2)OC)CC(=O)N3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C21H31N3O5/c1-4-17-14-22(13-16-12-18(27-3)6-7-19(16)29-17)15-20(25)23-8-10-24(11-9-23)21(26)28-5-2/h6-7,12,17H,4-5,8-11,13-15H2,1-3H3/t17-/m0/s1