N-[2,4-bis(fluoranyl)phenyl]-4-(7-chloranyl-2-ethyl-quinazolin-4-yl)piperazine-1-carboxamide

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-4-(7-chloranyl-2-ethyl-quinazolin-4-yl)piperazine-1-carboxamide Openeye Name: 4-(7-chloro-2-ethyl-quinazolin-4-yl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide CAS Name: 4-(7-chloro-2-ethyl-4-quinazolinyl)-N-(2,4-difluorophenyl)-1-piperazinecarboxamide IUPAC Name: 4-(7-chloro-2-ethylquinazolin-4-yl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide Traditional Name: 4-(7-chloro-2-ethyl-quinazolin-4-yl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide Formula: C21H20ClF2N5O MolecularWeight: 431.866206

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)Cl)C(=N1)N3CCN(CC3)C(=O)NC4=C(C=C(C=C4)F)F

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)Cl)C(=N1)N3CCN(CC3)C(=O)NC4=C(C=C(C=C4)F)F

InChI

InChI=1S/C21H20ClF2N5O/c1-2-19-25-18-11-13(22)3-5-15(18)20(27-19)28-7-9-29(10-8-28)21(30)26-17-6-4-14(23)12-16(17)24/h3-6,11-12H,2,7-10H2,1H3,(H,26,30)