N-[2,4-bis(fluoranyl)phenyl]-4-(2-cyclopropylquinazolin-4-yl)piperazine-1-carboxamide

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-4-(2-cyclopropylquinazolin-4-yl)piperazine-1-carboxamide Openeye Name: 4-(2-cyclopropylquinazolin-4-yl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide CAS Name: 4-(2-cyclopropyl-4-quinazolinyl)-N-(2,4-difluorophenyl)-1-piperazinecarboxamide IUPAC Name: 4-(2-cyclopropylquinazolin-4-yl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide Traditional Name: 4-(2-cyclopropylquinazolin-4-yl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide Formula: C22H21F2N5O MolecularWeight: 409.431846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC3=CC=CC=C3C(=N2)N4CCN(CC4)C(=O)NC5=C(C=C(C=C5)F)F

Isomeric SMILES

C1CC1C2=NC3=CC=CC=C3C(=N2)N4CCN(CC4)C(=O)NC5=C(C=C(C=C5)F)F

InChI

InChI=1S/C22H21F2N5O/c23-15-7-8-19(17(24)13-15)26-22(30)29-11-9-28(10-12-29)21-16-3-1-2-4-18(16)25-20(27-21)14-5-6-14/h1-4,7-8,13-14H,5-6,9-12H2,(H,26,30)