[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(2-methylpyrazol-3-yl)methanone

Systemtic Name: [(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(2-methylpyrazol-3-yl)methanone Openeye Name: [(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(2-methylpyrazol-3-yl)methanone CAS Name: [(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(2-methyl-3-pyrazolyl)methanone IUPAC Name: [(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(2-methylpyrazol-3-yl)methanone Traditional Name: [(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(2-methylpyrazol-3-yl)methanone Formula: C18H23N3O2 MolecularWeight: 313.39412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CN(CC2=CC=CC=C2O1)C(=O)C3=CC=NN3C

Isomeric SMILES

CCCC[C@H]1CN(CC2=CC=CC=C2O1)C(=O)C3=CC=NN3C

InChI

InChI=1S/C18H23N3O2/c1-3-4-8-15-13-21(18(22)16-10-11-19-20(16)2)12-14-7-5-6-9-17(14)23-15/h5-7,9-11,15H,3-4,8,12-13H2,1-2H3/t15-/m0/s1