[4-[2-(4-ethylphenyl)-6-methyl-quinolin-4-yl]carbonylpiperazin-1-yl]-(furan-2-yl)methanone

Systemtic Name: [4-[2-(4-ethylphenyl)-6-methyl-quinolin-4-yl]carbonylpiperazin-1-yl]-(furan-2-yl)methanone Openeye Name: [4-[2-(4-ethylphenyl)-6-methyl-quinoline-4-carbonyl]piperazin-1-yl]-(2-furyl)methanone CAS Name: [4-[[2-(4-ethylphenyl)-6-methyl-4-quinolinyl]-oxomethyl]-1-piperazinyl]-(2-furanyl)methanone IUPAC Name: [4-[2-(4-ethylphenyl)-6-methylquinoline-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone Traditional Name: [4-[2-(4-ethylphenyl)-6-methyl-quinoline-4-carbonyl]piperazino]-(2-furyl)methanone Formula: C28H27N3O3 MolecularWeight: 453.53228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)N4CCN(CC4)C(=O)C5=CC=CO5

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)N4CCN(CC4)C(=O)C5=CC=CO5

InChI

InChI=1S/C28H27N3O3/c1-3-20-7-9-21(10-8-20)25-18-23(22-17-19(2)6-11-24(22)29-25)27(32)30-12-14-31(15-13-30)28(33)26-5-4-16-34-26/h4-11,16-18H,3,12-15H2,1-2H3