N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(4-methoxyphenyl)quinazolin-4-amine

Systemtic Name: N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(4-methoxyphenyl)quinazolin-4-amine Openeye Name: N-[[1-[(3-fluorophenyl)methyl]-4-piperidyl]methyl]-2-(4-methoxyphenyl)quinazolin-4-amine CAS Name: N-[[1-[(3-fluorophenyl)methyl]-4-piperidinyl]methyl]-2-(4-methoxyphenyl)-4-quinazolinamine IUPAC Name: N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(4-methoxyphenyl)quinazolin-4-amine Traditional Name: [1-(3-fluorobenzyl)-4-piperidyl]methyl-[2-(4-methoxyphenyl)quinazolin-4-yl]amine Formula: C28H29FN4O MolecularWeight: 456.554463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NCC4CCN(CC4)CC5=CC(=CC=C5)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NCC4CCN(CC4)CC5=CC(=CC=C5)F

InChI

InChI=1S/C28H29FN4O/c1-34-24-11-9-22(10-12-24)27-31-26-8-3-2-7-25(26)28(32-27)30-18-20-13-15-33(16-14-20)19-21-5-4-6-23(29)17-21/h2-12,17,20H,13-16,18-19H2,1H3,(H,30,31,32)