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

Systemtic Name: N-[(1-methylpyrazol-4-yl)methyl]-2-[(2S)-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanamide Openeye Name: N-[(1-methylpyrazol-4-yl)methyl]-2-[(2S)-2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetamide CAS Name: N-[(1-methyl-4-pyrazolyl)methyl]-2-[(2S)-2-(3-thiophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetamide IUPAC Name: N-[(1-methylpyrazol-4-yl)methyl]-2-[(2S)-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetamide Traditional Name: N-[(1-methylpyrazol-4-yl)methyl]-2-[(2S)-2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CNC(=O)CN2CC(OC3=CC=CC=C3C2)C4=CSC=C4

Isomeric SMILES

CN1C=C(C=N1)CNC(=O)CN2C[C@@H](OC3=CC=CC=C3C2)C4=CSC=C4

InChI

InChI=1S/C20H22N4O2S/c1-23-10-15(9-22-23)8-21-20(25)13-24-11-16-4-2-3-5-18(16)26-19(12-24)17-6-7-27-14-17/h2-7,9-10,14,19H,8,11-13H2,1H3,(H,21,25)/t19-/m1/s1