1-[(2S)-2,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-4-phenyl-butane-1,4-dione

Systemtic Name: 1-[(2S)-2,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-4-phenyl-butane-1,4-dione Openeye Name: 1-[(2S)-2,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-4-phenyl-butane-1,4-dione CAS Name: 1-[(2S)-2,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-4-phenylbutane-1,4-dione IUPAC Name: 1-[(2S)-2,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-4-phenylbutane-1,4-dione Traditional Name: 1-[(2S)-2,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-4-phenyl-butane-1,4-dione Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC2=C(O1)C=CC(=C2)C)C(=O)CCC(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@H]1CN(CC2=C(O1)C=CC(=C2)C)C(=O)CCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23NO3/c1-15-8-10-20-18(12-15)14-22(13-16(2)25-20)21(24)11-9-19(23)17-6-4-3-5-7-17/h3-8,10,12,16H,9,11,13-14H2,1-2H3/t16-/m0/s1