N-(3-chloranyl-4-phenoxy-phenyl)-6-[2-(2,5-dihydropyridin-4-yl)ethynyl]quinazolin-4-amine

Systemtic Name: N-(3-chloranyl-4-phenoxy-phenyl)-6-[2-(2,5-dihydropyridin-4-yl)ethynyl]quinazolin-4-amine Openeye Name: N-(3-chloro-4-phenoxy-phenyl)-6-[2-(2,5-dihydropyridin-4-yl)ethynyl]quinazolin-4-amine CAS Name: N-(3-chloro-4-phenoxyphenyl)-6-[2-(2,5-dihydropyridin-4-yl)ethynyl]-4-quinazolinamine IUPAC Name: N-(3-chloro-4-phenoxyphenyl)-6-[2-(2,5-dihydropyridin-4-yl)ethynyl]quinazolin-4-amine Traditional Name: (3-chloro-4-phenoxy-phenyl)-[6-[2-(2,5-dihydropyridin-4-yl)ethynyl]quinazolin-4-yl]amine Formula: C27H19ClN4O MolecularWeight: 450.91896

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Descriptors Computed from Structure

Canonical SMILES:

C1C=NCC=C1C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OC5=CC=CC=C5)Cl

Isomeric SMILES

C1C=NCC=C1C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OC5=CC=CC=C5)Cl

InChI

InChI=1S/C27H19ClN4O/c28-24-17-21(9-11-26(24)33-22-4-2-1-3-5-22)32-27-23-16-20(8-10-25(23)30-18-31-27)7-6-19-12-14-29-15-13-19/h1-5,8-12,15-18H,13-14H2,(H,30,31,32)