[2-(2,5-dimethylphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone

Systemtic Name: [2-(2,5-dimethylphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [2-(2,5-dimethylphenyl)-4-quinolyl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [2-(2,5-dimethylphenyl)-4-quinolinyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [2-(2,5-dimethylphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [2-(2,5-dimethylphenyl)-4-quinolyl]-(4-phenylpiperazino)methanone Formula: C28H27N3O MolecularWeight: 421.53348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C28H27N3O/c1-20-12-13-21(2)24(18-20)27-19-25(23-10-6-7-11-26(23)29-27)28(32)31-16-14-30(15-17-31)22-8-4-3-5-9-22/h3-13,18-19H,14-17H2,1-2H3