3-[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(3-indazol-1-ylpropyl)propanamide

Systemtic Name: 3-[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(3-indazol-1-ylpropyl)propanamide Openeye Name: 3-[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(3-indazol-1-ylpropyl)propanamide CAS Name: 3-[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-[3-(1-indazolyl)propyl]propanamide IUPAC Name: 3-[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(3-indazol-1-ylpropyl)propanamide Traditional Name: 3-[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]-N-(3-indazol-1-ylpropyl)propionamide Formula: C25H33N4O3+ MolecularWeight: 437.55452

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C[NH+](CC2=C(O1)C=CC(=C2)OC)CCC(=O)NCCCN3C4=CC=CC=C4C=N3

Isomeric SMILES

CC[C@H]1C[NH+](CC2=C(O1)C=CC(=C2)OC)CCC(=O)NCCCN3C4=CC=CC=C4C=N3

InChI

InChI=1S/C25H32N4O3/c1-3-21-18-28(17-20-15-22(31-2)9-10-24(20)32-21)14-11-25(30)26-12-6-13-29-23-8-5-4-7-19(23)16-27-29/h4-5,7-10,15-16,21H,3,6,11-14,17-18H2,1-2H3,(H,26,30)/p+1/t21-/m0/s1