N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-2-[(2S)-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanamide

Systemtic Name: N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-2-[(2S)-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanamide Openeye Name: N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-2-[(2S)-2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetamide CAS Name: N-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-2-[(2S)-2-(3-thiophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetamide IUPAC Name: N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(2S)-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetamide Traditional Name: N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-2-[(2S)-2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetamide Formula: C23H28N4O2S MolecularWeight: 424.55902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)CNC(=O)CN2CC(OC3=CC=CC=C3C2)C4=CSC=C4)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)CNC(=O)CN2C[C@@H](OC3=CC=CC=C3C2)C4=CSC=C4)C

InChI

InChI=1S/C23H28N4O2S/c1-4-27-17(3)20(16(2)25-27)11-24-23(28)14-26-12-18-7-5-6-8-21(18)29-22(13-26)19-9-10-30-15-19/h5-10,15,22H,4,11-14H2,1-3H3,(H,24,28)/t22-/m1/s1