N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-(cyclopropylmethoxy)quinazolin-6-yl]-4-piperidin-1-yl-but-2-ynamide

Systemtic Name: N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-(cyclopropylmethoxy)quinazolin-6-yl]-4-piperidin-1-yl-but-2-ynamide Openeye Name: N-[4-(3-chloro-4-fluoro-anilino)-7-(cyclopropylmethoxy)quinazolin-6-yl]-4-(1-piperidyl)but-2-ynamide CAS Name: N-[4-(3-chloro-4-fluoroanilino)-7-(cyclopropylmethoxy)-6-quinazolinyl]-4-(1-piperidinyl)-2-butynamide IUPAC Name: N-[4-(3-chloro-4-fluoroanilino)-7-(cyclopropylmethoxy)quinazolin-6-yl]-4-piperidin-1-ylbut-2-ynamide Traditional Name: N-[4-(3-chloro-4-fluoro-anilino)-7-(cyclopropylmethoxy)quinazolin-6-yl]-4-piperidino-but-2-ynamide Formula: C27H27ClFN5O2 MolecularWeight: 507.986983

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC#CC(=O)NC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl)OCC5CC5

Isomeric SMILES

C1CCN(CC1)CC#CC(=O)NC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl)OCC5CC5

InChI

InChI=1S/C27H27ClFN5O2/c28-21-13-19(8-9-22(21)29)32-27-20-14-24(33-26(35)5-4-12-34-10-2-1-3-11-34)25(36-16-18-6-7-18)15-23(20)30-17-31-27/h8-9,13-15,17-18H,1-3,6-7,10-12,16H2,(H,33,35)(H,30,31,32)