2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(2-pyrazol-1-ylethyl)ethanamide

Systemtic Name: 2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(2-pyrazol-1-ylethyl)ethanamide Openeye Name: 2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(2-pyrazol-1-ylethyl)acetamide CAS Name: 2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-[2-(1-pyrazolyl)ethyl]acetamide IUPAC Name: 2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(2-pyrazol-1-ylethyl)acetamide Traditional Name: 2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(2-pyrazol-1-ylethyl)acetamide Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2C[NH+]1CC(=O)NCCN3C=CC=N3)C4=CC=CC=C4

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2C[NH+]1CC(=O)NCCN3C=CC=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4O2/c27-22(23-12-14-26-13-6-11-24-26)17-25-15-19-9-4-5-10-20(19)28-21(16-25)18-7-2-1-3-8-18/h1-11,13,21H,12,14-17H2,(H,23,27)/p+1/t21-/m1/s1