cyclohexyl-[7-[[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone

Systemtic Name: cyclohexyl-[7-[[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Openeye Name: cyclohexyl-[7-[[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone CAS Name: cyclohexyl-[7-[[4-(2-pyridinylmethyl)-1-piperazin-4-iumyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone IUPAC Name: cyclohexyl-[7-[[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Traditional Name: cyclohexyl-[7-[[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Formula: C27H37N4O2+ MolecularWeight: 449.60828

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2CCOC3=C(C2)C=C(C=C3)CN4CC[NH+](CC4)CC5=CC=CC=N5

Isomeric SMILES

C1CCC(CC1)C(=O)N2CCOC3=C(C2)C=C(C=C3)CN4CC[NH+](CC4)CC5=CC=CC=N5

InChI

InChI=1S/C27H36N4O2/c32-27(23-6-2-1-3-7-23)31-16-17-33-26-10-9-22(18-24(26)20-31)19-29-12-14-30(15-13-29)21-25-8-4-5-11-28-25/h4-5,8-11,18,23H,1-3,6-7,12-17,19-21H2/p+1