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

Systemtic Name: 2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(2-pyrazin-2-ylethyl)ethanamide Openeye Name: 2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(2-pyrazin-2-ylethyl)acetamide CAS Name: 2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-[2-(2-pyrazinyl)ethyl]acetamide IUPAC Name: 2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(2-pyrazin-2-ylethyl)acetamide Traditional Name: 2-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(2-pyrazin-2-ylethyl)acetamide Formula: C23H25N4O2+ MolecularWeight: 389.4702

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2C[NH+]1CC(=O)NCCC3=NC=CN=C3)C4=CC=CC=C4

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2C[NH+]1CC(=O)NCCC3=NC=CN=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H24N4O2/c28-23(26-11-10-20-14-24-12-13-25-20)17-27-15-19-8-4-5-9-21(19)29-22(16-27)18-6-2-1-3-7-18/h1-9,12-14,22H,10-11,15-17H2,(H,26,28)/p+1/t22-/m1/s1