3-[[(2S)-2,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]chromen-4-one

Systemtic Name: 3-[[(2S)-2,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]chromen-4-one Openeye Name: 3-[[(2S)-2,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]chromen-4-one CAS Name: 3-[[(2S)-2,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]-1-benzopyran-4-one IUPAC Name: 3-[[(2S)-2,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]chromen-4-one Traditional Name: 3-[[(2S)-2,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]chromone Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC2=C(O1)C=CC(=C2)C)CC3=COC4=CC=CC=C4C3=O

Isomeric SMILES

C[C@H]1CN(CC2=C(O1)C=CC(=C2)C)CC3=COC4=CC=CC=C4C3=O

InChI

InChI=1S/C21H21NO3/c1-14-7-8-19-16(9-14)11-22(10-15(2)25-19)12-17-13-24-20-6-4-3-5-18(20)21(17)23/h3-9,13,15H,10-12H2,1-2H3/t15-/m0/s1