N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-5-fluoranyl-1H-indole-2-carboxamide

Systemtic Name: N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-5-fluoranyl-1H-indole-2-carboxamide Openeye Name: N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-5-fluoro-1H-indole-2-carboxamide CAS Name: N-[4-[(6,7-dimethoxy-4-quinazolinyl)amino]phenyl]-5-fluoro-1H-indole-2-carboxamide IUPAC Name: N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-5-fluoro-1H-indole-2-carboxamide Traditional Name: N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-5-fluoro-1H-indole-2-carboxamide Formula: C25H20FN5O3 MolecularWeight: 457.456403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC5=C(N4)C=CC(=C5)F)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC5=C(N4)C=CC(=C5)F)OC

InChI

InChI=1S/C25H20FN5O3/c1-33-22-11-18-20(12-23(22)34-2)27-13-28-24(18)29-16-4-6-17(7-5-16)30-25(32)21-10-14-9-15(26)3-8-19(14)31-21/h3-13,31H,1-2H3,(H,30,32)(H,27,28,29)