[4-(2-ethoxyphenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone

Systemtic Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone Openeye Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-[2-(2-thienyl)-4-quinolyl]methanone CAS Name: [4-(2-ethoxyphenyl)-1-piperazinyl]-(2-thiophen-2-yl-4-quinolinyl)methanone IUPAC Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone Traditional Name: (4-o-phenetylpiperazino)-[2-(2-thienyl)-4-quinolyl]methanone Formula: C26H25N3O2S MolecularWeight: 443.5606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C26H25N3O2S/c1-2-31-24-11-6-5-10-23(24)28-13-15-29(16-14-28)26(30)20-18-22(25-12-7-17-32-25)27-21-9-4-3-8-19(20)21/h3-12,17-18H,2,13-16H2,1H3