cyclopentyl-[7-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone

Systemtic Name: cyclopentyl-[7-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Openeye Name: cyclopentyl-[7-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone CAS Name: cyclopentyl-[7-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone IUPAC Name: cyclopentyl-[7-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Traditional Name: cyclopentyl-[7-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Formula: C24H32N5O2+ MolecularWeight: 422.54318

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)N2CCOC3=C(C2)C=C(C=C3)C[NH+]4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

C1CCC(C1)C(=O)N2CCOC3=C(C2)C=C(C=C3)C[NH+]4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C24H31N5O2/c30-23(20-4-1-2-5-20)29-14-15-31-22-7-6-19(16-21(22)18-29)17-27-10-12-28(13-11-27)24-25-8-3-9-26-24/h3,6-9,16,20H,1-2,4-5,10-15,17-18H2/p+1