N-(3-chloranyl-4-fluoranyl-phenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinecarboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide Formula: C21H21ClFN5O3 MolecularWeight: 445.874543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClFN5O3/c1-30-18-10-14-17(11-19(18)31-2)24-12-25-20(14)27-5-7-28(8-6-27)21(29)26-13-3-4-16(23)15(22)9-13/h3-4,9-12H,5-8H2,1-2H3,(H,26,29)