3-[[2-(2-chlorophenyl)quinazolin-4-yl]amino]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one

Systemtic Name: 3-[[2-(2-chlorophenyl)quinazolin-4-yl]amino]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: 3-[[2-(2-chlorophenyl)quinazolin-4-yl]amino]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one CAS Name: 3-[[2-(2-chlorophenyl)-4-quinazolinyl]amino]-1-(4-ethyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: 3-[[2-(2-chlorophenyl)quinazolin-4-yl]amino]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: 3-[[2-(2-chlorophenyl)quinazolin-4-yl]amino]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Formula: C23H27ClN5O+ MolecularWeight: 424.94638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)CCNC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)CCNC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4Cl

InChI

InChI=1S/C23H26ClN5O/c1-2-28-13-15-29(16-14-28)21(30)11-12-25-22-18-8-4-6-10-20(18)26-23(27-22)17-7-3-5-9-19(17)24/h3-10H,2,11-16H2,1H3,(H,25,26,27)/p+1