N-[4-chloranyl-2-(trifluoromethyl)phenyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide

Systemtic Name: N-[4-chloranyl-2-(trifluoromethyl)phenyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide Openeye Name: N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide CAS Name: N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinecarboxamide IUPAC Name: N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide Traditional Name: N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide Formula: C22H21ClF3N5O3 MolecularWeight: 495.88205

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=O)NC4=C(C=C(C=C4)Cl)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=O)NC4=C(C=C(C=C4)Cl)C(F)(F)F)OC

InChI

InChI=1S/C22H21ClF3N5O3/c1-33-18-10-14-17(11-19(18)34-2)27-12-28-20(14)30-5-7-31(8-6-30)21(32)29-16-4-3-13(23)9-15(16)22(24,25)26/h3-4,9-12H,5-8H2,1-2H3,(H,29,32)