[2-(3-chlorophenyl)-4-ethoxy-quinolin-6-yl]-(4-cyclohexylpiperazin-1-yl)methanone

Systemtic Name: [2-(3-chlorophenyl)-4-ethoxy-quinolin-6-yl]-(4-cyclohexylpiperazin-1-yl)methanone Openeye Name: [2-(3-chlorophenyl)-4-ethoxy-6-quinolyl]-(4-cyclohexylpiperazin-1-yl)methanone CAS Name: [2-(3-chlorophenyl)-4-ethoxy-6-quinolinyl]-(4-cyclohexyl-1-piperazinyl)methanone IUPAC Name: [2-(3-chlorophenyl)-4-ethoxyquinolin-6-yl]-(4-cyclohexylpiperazin-1-yl)methanone Traditional Name: [2-(3-chlorophenyl)-4-ethoxy-6-quinolyl]-(4-cyclohexylpiperazino)methanone Formula: C28H32ClN3O2 MolecularWeight: 478.02558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=NC2=C1C=C(C=C2)C(=O)N3CCN(CC3)C4CCCCC4)C5=CC(=CC=C5)Cl

Isomeric SMILES

CCOC1=CC(=NC2=C1C=C(C=C2)C(=O)N3CCN(CC3)C4CCCCC4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C28H32ClN3O2/c1-2-34-27-19-26(20-7-6-8-22(29)17-20)30-25-12-11-21(18-24(25)27)28(33)32-15-13-31(14-16-32)23-9-4-3-5-10-23/h6-8,11-12,17-19,23H,2-5,9-10,13-16H2,1H3