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

Systemtic Name: 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[2-methylpropyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propan-1-one Openeye Name: 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[isobutyl-[2-(2-thienyl)quinazolin-4-yl]amino]propan-1-one CAS Name: 1-[4-(2-fluorophenyl)-1-piperazinyl]-3-[2-methylpropyl-(2-thiophen-2-yl-4-quinazolinyl)amino]-1-propanone IUPAC Name: 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[2-methylpropyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propan-1-one Traditional Name: 1-[4-(2-fluorophenyl)piperazino]-3-[isobutyl-[2-(2-thienyl)quinazolin-4-yl]amino]propan-1-one Formula: C29H32FN5OS MolecularWeight: 517.660683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H32FN5OS/c1-21(2)20-35(29-22-8-3-5-10-24(22)31-28(32-29)26-12-7-19-37-26)14-13-27(36)34-17-15-33(16-18-34)25-11-6-4-9-23(25)30/h3-12,19,21H,13-18,20H2,1-2H3