4-[4-[[(2-thiophen-2-ylquinazolin-4-yl)amino]methyl]phenyl]piperazin-2-one

Systemtic Name: 4-[4-[[(2-thiophen-2-ylquinazolin-4-yl)amino]methyl]phenyl]piperazin-2-one Openeye Name: 4-[4-[[[2-(2-thienyl)quinazolin-4-yl]amino]methyl]phenyl]piperazin-2-one CAS Name: 4-[4-[[(2-thiophen-2-yl-4-quinazolinyl)amino]methyl]phenyl]-2-piperazinone IUPAC Name: 4-[4-[[(2-thiophen-2-ylquinazolin-4-yl)amino]methyl]phenyl]piperazin-2-one Traditional Name: 4-[4-[[[2-(2-thienyl)quinazolin-4-yl]amino]methyl]phenyl]piperazin-2-one Formula: C23H21N5OS MolecularWeight: 415.51074

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=CC=C(C=C2)CNC3=NC(=NC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

C1CN(CC(=O)N1)C2=CC=C(C=C2)CNC3=NC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C23H21N5OS/c29-21-15-28(12-11-24-21)17-9-7-16(8-10-17)14-25-22-18-4-1-2-5-19(18)26-23(27-22)20-6-3-13-30-20/h1-10,13H,11-12,14-15H2,(H,24,29)(H,25,26,27)