1-[4-[[4-(1-phenylcyclopropyl)carbonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 1-[4-[[4-(1-phenylcyclopropyl)carbonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-[[4-(1-phenylcyclopropanecarbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 1-[4-[[4-[oxo-(1-phenylcyclopropyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-[4-[[4-(1-phenylcyclopropanecarbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-[[4-(1-phenylcyclopropanecarbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazin-4-ium-1-yl]ethanone Formula: C26H32N3O3+ MolecularWeight: 434.55058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4(CC4)C5=CC=CC=C5

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4(CC4)C5=CC=CC=C5

InChI

InChI=1S/C26H31N3O3/c1-20(30)28-13-11-27(12-14-28)18-21-7-8-24-22(17-21)19-29(15-16-32-24)25(31)26(9-10-26)23-5-3-2-4-6-23/h2-8,17H,9-16,18-19H2,1H3/p+1