1-[4-[(4-quinolin-6-ylcarbonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 1-[4-[(4-quinolin-6-ylcarbonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-[[4-(quinoline-6-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 1-[4-[[4-[oxo(6-quinolinyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-[4-[[4-(quinoline-6-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-[[4-(quinoline-6-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazin-4-ium-1-yl]ethanone Formula: C26H29N4O3+ MolecularWeight: 445.53346

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=CC5=C(C=C4)N=CC=C5

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4=CC5=C(C=C4)N=CC=C5

InChI

InChI=1S/C26H28N4O3/c1-19(31)29-11-9-28(10-12-29)17-20-4-7-25-23(15-20)18-30(13-14-33-25)26(32)22-5-6-24-21(16-22)3-2-8-27-24/h2-8,15-16H,9-14,17-18H2,1H3/p+1