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

Systemtic Name: 1-[4-[2-(2,4-dimethylphenyl)quinolin-4-yl]carbonylpiperazin-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[4-[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]piperazin-1-yl]-3-methyl-butan-1-one CAS Name: 1-[4-[[2-(2,4-dimethylphenyl)-4-quinolinyl]-oxomethyl]-1-piperazinyl]-3-methyl-1-butanone IUPAC Name: 1-[4-[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]piperazin-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]piperazino]-3-methyl-butan-1-one Formula: C27H31N3O2 MolecularWeight: 429.55394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C(=O)CC(C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C(=O)CC(C)C)C

InChI

InChI=1S/C27H31N3O2/c1-18(2)15-26(31)29-11-13-30(14-12-29)27(32)23-17-25(21-10-9-19(3)16-20(21)4)28-24-8-6-5-7-22(23)24/h5-10,16-18H,11-15H2,1-4H3