2-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]-N-(3,4-dimethoxyphenyl)quinazolin-4-amine

Systemtic Name: 2-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]-N-(3,4-dimethoxyphenyl)quinazolin-4-amine Openeye Name: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]-N-(3,4-dimethoxyphenyl)quinazolin-4-amine CAS Name: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-N-(3,4-dimethoxyphenyl)-4-quinazolinamine IUPAC Name: 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]-N-(3,4-dimethoxyphenyl)quinazolin-4-amine Traditional Name: [2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]quinazolin-4-yl]-(3,4-dimethoxyphenyl)amine Formula: C27H26ClF3N6O2 MolecularWeight: 558.98255

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=NC3=CC=CC=C32)N4CCCN(CC4)C5=C(C=C(C=N5)C(F)(F)F)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=NC3=CC=CC=C32)N4CCCN(CC4)C5=C(C=C(C=N5)C(F)(F)F)Cl)OC

InChI

InChI=1S/C27H26ClF3N6O2/c1-38-22-9-8-18(15-23(22)39-2)33-24-19-6-3-4-7-21(19)34-26(35-24)37-11-5-10-36(12-13-37)25-20(28)14-17(16-32-25)27(29,30)31/h3-4,6-9,14-16H,5,10-13H2,1-2H3,(H,33,34,35)