N-[2,4-bis(fluoranyl)phenyl]-4-(3-cyano-6-ethoxy-quinolin-2-yl)piperazine-1-carboxamide

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-4-(3-cyano-6-ethoxy-quinolin-2-yl)piperazine-1-carboxamide Openeye Name: 4-(3-cyano-6-ethoxy-2-quinolyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide CAS Name: 4-(3-cyano-6-ethoxy-2-quinolinyl)-N-(2,4-difluorophenyl)-1-piperazinecarboxamide IUPAC Name: 4-(3-cyano-6-ethoxyquinolin-2-yl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide Traditional Name: 4-(3-cyano-6-ethoxy-2-quinolyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide Formula: C23H21F2N5O2 MolecularWeight: 437.441946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C(=C2)C#N)N3CCN(CC3)C(=O)NC4=C(C=C(C=C4)F)F

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C(=C2)C#N)N3CCN(CC3)C(=O)NC4=C(C=C(C=C4)F)F

InChI

InChI=1S/C23H21F2N5O2/c1-2-32-18-4-6-20-15(12-18)11-16(14-26)22(27-20)29-7-9-30(10-8-29)23(31)28-21-5-3-17(24)13-19(21)25/h3-6,11-13H,2,7-10H2,1H3,(H,28,31)