2-[4-(3-chloranyl-2-methyl-pyrazolo[1,5-a]quinazolin-5-yl)-1,4-diazepan-1-ium-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-(3-chloranyl-2-methyl-pyrazolo[1,5-a]quinazolin-5-yl)-1,4-diazepan-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-(3-chloro-2-methyl-pyrazolo[1,5-a]quinazolin-5-yl)-1,4-diazepan-1-ium-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-(3-chloro-2-methyl-5-pyrazolo[1,5-a]quinazolinyl)-1,4-diazepan-1-ium-1-yl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)-1,4-diazepan-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-(3-chloro-2-methyl-pyrazolo[1,5-a]quinazolin-5-yl)-1,4-diazepan-1-ium-1-yl]-N-isopropyl-acetamide Formula: C21H28ClN6O+ MolecularWeight: 415.93962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C3=CC=CC=C3C(=NC2=C1Cl)N4CCC[NH+](CC4)CC(=O)NC(C)C

Isomeric SMILES

CC1=NN2C3=CC=CC=C3C(=NC2=C1Cl)N4CCC[NH+](CC4)CC(=O)NC(C)C

InChI

InChI=1S/C21H27ClN6O/c1-14(2)23-18(29)13-26-9-6-10-27(12-11-26)20-16-7-4-5-8-17(16)28-21(24-20)19(22)15(3)25-28/h4-5,7-8,14H,6,9-13H2,1-3H3,(H,23,29)/p+1