3-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[(1,5-dimethylpyrazol-3-yl)methyl]propanamide

Systemtic Name: 3-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[(1,5-dimethylpyrazol-3-yl)methyl]propanamide Openeye Name: 3-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[(1,5-dimethylpyrazol-3-yl)methyl]propanamide CAS Name: 3-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[(1,5-dimethyl-3-pyrazolyl)methyl]propanamide IUPAC Name: 3-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[(1,5-dimethylpyrazol-3-yl)methyl]propanamide Traditional Name: 3-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[(1,5-dimethylpyrazol-3-yl)methyl]propionamide Formula: C22H32N4O2 MolecularWeight: 384.51508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CN(CC2=CC=CC=C2O1)CCC(=O)NCC3=NN(C(=C3)C)C

Isomeric SMILES

CCCC[C@H]1CN(CC2=CC=CC=C2O1)CCC(=O)NCC3=NN(C(=C3)C)C

InChI

InChI=1S/C22H32N4O2/c1-4-5-9-20-16-26(15-18-8-6-7-10-21(18)28-20)12-11-22(27)23-14-19-13-17(2)25(3)24-19/h6-8,10,13,20H,4-5,9,11-12,14-16H2,1-3H3,(H,23,27)/t20-/m0/s1