2-(4-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]quinazolin-4-amine

Systemtic Name: 2-(4-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]quinazolin-4-amine Openeye Name: 2-(4-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]quinazolin-4-amine CAS Name: 2-(4-methoxyphenyl)-N-[3-(4-phenyl-1-piperazinyl)propyl]-4-quinazolinamine IUPAC Name: 2-(4-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]quinazolin-4-amine Traditional Name: [2-(4-methoxyphenyl)quinazolin-4-yl]-[3-(4-phenylpiperazino)propyl]amine Formula: C28H31N5O MolecularWeight: 453.57864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NCCCN4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NCCCN4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C28H31N5O/c1-34-24-14-12-22(13-15-24)27-30-26-11-6-5-10-25(26)28(31-27)29-16-7-17-32-18-20-33(21-19-32)23-8-3-2-4-9-23/h2-6,8-15H,7,16-21H2,1H3,(H,29,30,31)