N-[3,5-bis(trifluoromethyl)phenyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide Openeye Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinecarboxamide IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide Traditional Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide Formula: C23H21F6N5O3 MolecularWeight: 529.434959

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21F6N5O3/c1-36-18-10-16-17(11-19(18)37-2)30-12-31-20(16)33-3-5-34(6-4-33)21(35)32-15-8-13(22(24,25)26)7-14(9-15)23(27,28)29/h7-12H,3-6H2,1-2H3,(H,32,35)