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

Systemtic Name: 1-[7-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-indazol-2-yl-ethanone Openeye Name: 1-[7-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-indazol-2-yl-ethanone CAS Name: 1-[7-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(2-indazolyl)ethanone IUPAC Name: 1-[7-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-indazol-2-ylethanone Traditional Name: 1-[7-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-indazol-2-yl-ethanone Formula: C25H32N5O3+ MolecularWeight: 450.55328

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCCN(C3)C(=O)CN4C=C5C=CC=CC5=N4)CCO

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCCN(C3)C(=O)CN4C=C5C=CC=CC5=N4)CCO

InChI

InChI=1S/C25H31N5O3/c31-13-11-27-7-9-28(10-8-27)16-20-5-6-24-22(15-20)17-29(12-14-33-24)25(32)19-30-18-21-3-1-2-4-23(21)26-30/h1-6,15,18,31H,7-14,16-17,19H2/p+1