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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=CC(=C1)C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OC5=CC=CC=C5)Cl

Isomeric SMILES

C1CN=CC(=C1)C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OC5=CC=CC=C5)Cl

InChI

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