N-[4-[(3-ethynylphenyl)amino]quinazolin-6-yl]-3,3-bis(fluoranyl)piperidine-1-carboxamide

Systemtic Name: N-[4-[(3-ethynylphenyl)amino]quinazolin-6-yl]-3,3-bis(fluoranyl)piperidine-1-carboxamide Openeye Name: N-[4-(3-ethynylanilino)quinazolin-6-yl]-3,3-difluoro-piperidine-1-carboxamide CAS Name: N-[4-(3-ethynylanilino)-6-quinazolinyl]-3,3-difluoro-1-piperidinecarboxamide IUPAC Name: N-[4-(3-ethynylanilino)quinazolin-6-yl]-3,3-difluoropiperidine-1-carboxamide Traditional Name: N-[4-(3-ethynylanilino)quinazolin-6-yl]-3,3-difluoro-piperidine-1-carboxamide Formula: C22H19F2N5O MolecularWeight: 407.415966

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC2=NC=NC3=C2C=C(C=C3)NC(=O)N4CCCC(C4)(F)F

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2=NC=NC3=C2C=C(C=C3)NC(=O)N4CCCC(C4)(F)F

InChI

InChI=1S/C22H19F2N5O/c1-2-15-5-3-6-16(11-15)27-20-18-12-17(7-8-19(18)25-14-26-20)28-21(30)29-10-4-9-22(23,24)13-29/h1,3,5-8,11-12,14H,4,9-10,13H2,(H,28,30)(H,25,26,27)