2-[4-(3-chloranyl-2-methyl-pyrazolo[1,5-a]quinazolin-5-yl)-1,4-diazepan-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(3-chloranyl-2-methyl-pyrazolo[1,5-a]quinazolin-5-yl)-1,4-diazepan-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(3-chloro-2-methyl-pyrazolo[1,5-a]quinazolin-5-yl)-1,4-diazepan-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-(3-chloro-2-methyl-5-pyrazolo[1,5-a]quinazolinyl)-1,4-diazepan-1-ium-1-yl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)-1,4-diazepan-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(3-chloro-2-methyl-pyrazolo[1,5-a]quinazolin-5-yl)-1,4-diazepan-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C22H28ClN6O+ MolecularWeight: 427.95032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C3=CC=CC=C3C(=NC2=C1Cl)N4CCC[NH+](CC4)CC(=O)N5CCCC5

Isomeric SMILES

CC1=NN2C3=CC=CC=C3C(=NC2=C1Cl)N4CCC[NH+](CC4)CC(=O)N5CCCC5

InChI

InChI=1S/C22H27ClN6O/c1-16-20(23)22-24-21(17-7-2-3-8-18(17)29(22)25-16)28-12-6-9-26(13-14-28)15-19(30)27-10-4-5-11-27/h2-3,7-8H,4-6,9-15H2,1H3/p+1