(2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(2,6-dimethylpyrimidin-4-yl)methanone

Systemtic Name: (2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(2,6-dimethylpyrimidin-4-yl)methanone Openeye Name: (2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(2,6-dimethylpyrimidin-4-yl)methanone CAS Name: (2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(2,6-dimethyl-4-pyrimidinyl)methanone IUPAC Name: (2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(2,6-dimethylpyrimidin-4-yl)methanone Traditional Name: (2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(2,6-dimethylpyrimidin-4-yl)methanone Formula: C20H25N3O2 MolecularWeight: 339.4314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CN(CC2=CC=CC=C2O1)C(=O)C3=CC(=NC(=N3)C)C

Isomeric SMILES

CCCCC1CN(CC2=CC=CC=C2O1)C(=O)C3=CC(=NC(=N3)C)C

InChI

InChI=1S/C20H25N3O2/c1-4-5-9-17-13-23(12-16-8-6-7-10-19(16)25-17)20(24)18-11-14(2)21-15(3)22-18/h6-8,10-11,17H,4-5,9,12-13H2,1-3H3