1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[propyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propan-1-one

Systemtic Name: 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[propyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propan-1-one Openeye Name: 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[propyl-[2-(2-thienyl)quinazolin-4-yl]amino]propan-1-one CAS Name: 1-[4-(2-fluorophenyl)-1-piperazinyl]-3-[propyl-(2-thiophen-2-yl-4-quinazolinyl)amino]-1-propanone IUPAC Name: 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[propyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propan-1-one Traditional Name: 1-[4-(2-fluorophenyl)piperazino]-3-[propyl-[2-(2-thienyl)quinazolin-4-yl]amino]propan-1-one Formula: C28H30FN5OS MolecularWeight: 503.634103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC(=O)N1CCN(CC1)C2=CC=CC=C2F)C3=NC(=NC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

CCCN(CCC(=O)N1CCN(CC1)C2=CC=CC=C2F)C3=NC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C28H30FN5OS/c1-2-14-34(28-21-8-3-5-10-23(21)30-27(31-28)25-12-7-20-36-25)15-13-26(35)33-18-16-32(17-19-33)24-11-6-4-9-22(24)29/h3-12,20H,2,13-19H2,1H3