ethyl-[[4-(phenylcarbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: ethyl-[[4-(phenylcarbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: (4-benzoyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)methyl-ethyl-(4-pyridylmethyl)ammonium CAS Name: (4-benzoyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)methyl-ethyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: (4-benzoyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)methyl-ethyl-(pyridin-4-ylmethyl)azanium Traditional Name: (4-benzoyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)methyl-ethyl-(4-pyridylmethyl)ammonium Formula: C25H28N3O2+ MolecularWeight: 402.50872

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O2/c1-2-27(17-20-10-12-26-13-11-20)18-21-8-9-24-23(16-21)19-28(14-15-30-24)25(29)22-6-4-3-5-7-22/h3-13,16H,2,14-15,17-19H2,1H3/p+1