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

Systemtic Name: 3-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(2-pyrazol-1-ylethyl)propanamide Openeye Name: 3-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(2-pyrazol-1-ylethyl)propanamide CAS Name: 3-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-[2-(1-pyrazolyl)ethyl]propanamide IUPAC Name: 3-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(2-pyrazol-1-ylethyl)propanamide Traditional Name: 3-[(2S)-2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(2-pyrazol-1-ylethyl)propionamide Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O2/c28-23(24-13-16-27-14-6-12-25-27)11-15-26-17-20-9-4-5-10-21(20)29-22(18-26)19-7-2-1-3-8-19/h1-10,12,14,22H,11,13,15-18H2,(H,24,28)/p+1/t22-/m1/s1