N-(3-chloranyl-4-phenoxy-phenyl)-6-(3-methylbut-1-ynyl)quinazolin-4-amine

Systemtic Name: N-(3-chloranyl-4-phenoxy-phenyl)-6-(3-methylbut-1-ynyl)quinazolin-4-amine Openeye Name: N-(3-chloro-4-phenoxy-phenyl)-6-(3-methylbut-1-ynyl)quinazolin-4-amine CAS Name: N-(3-chloro-4-phenoxyphenyl)-6-(3-methylbut-1-ynyl)-4-quinazolinamine IUPAC Name: N-(3-chloro-4-phenoxyphenyl)-6-(3-methylbut-1-ynyl)quinazolin-4-amine Traditional Name: (3-chloro-4-phenoxy-phenyl)-[6-(3-methylbut-1-ynyl)quinazolin-4-yl]amine Formula: C25H20ClN3O MolecularWeight: 413.8988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C#CC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OC4=CC=CC=C4)Cl

Isomeric SMILES

CC(C)C#CC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OC4=CC=CC=C4)Cl

InChI

InChI=1S/C25H20ClN3O/c1-17(2)8-9-18-10-12-23-21(14-18)25(28-16-27-23)29-19-11-13-24(22(26)15-19)30-20-6-4-3-5-7-20/h3-7,10-17H,1-2H3,(H,27,28,29)