1-[4-[2-(4-chlorophenyl)quinolin-4-yl]carbonylpiperazin-1-yl]-3-methyl-butan-1-one

Systemtic Name: 1-[4-[2-(4-chlorophenyl)quinolin-4-yl]carbonylpiperazin-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[4-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperazin-1-yl]-3-methyl-butan-1-one CAS Name: 1-[4-[[2-(4-chlorophenyl)-4-quinolinyl]-oxomethyl]-1-piperazinyl]-3-methyl-1-butanone IUPAC Name: 1-[4-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperazin-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperazino]-3-methyl-butan-1-one Formula: C25H26ClN3O2 MolecularWeight: 435.94584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H26ClN3O2/c1-17(2)15-24(30)28-11-13-29(14-12-28)25(31)21-16-23(18-7-9-19(26)10-8-18)27-22-6-4-3-5-20(21)22/h3-10,16-17H,11-15H2,1-2H3