N-(3-methyl-4-phenoxy-phenyl)-6-(3-piperazin-1-ylprop-1-ynyl)quinazolin-4-amine

Systemtic Name: N-(3-methyl-4-phenoxy-phenyl)-6-(3-piperazin-1-ylprop-1-ynyl)quinazolin-4-amine Openeye Name: N-(3-methyl-4-phenoxy-phenyl)-6-(3-piperazin-1-ylprop-1-ynyl)quinazolin-4-amine CAS Name: N-(3-methyl-4-phenoxyphenyl)-6-[3-(1-piperazinyl)prop-1-ynyl]-4-quinazolinamine IUPAC Name: N-(3-methyl-4-phenoxyphenyl)-6-(3-piperazin-1-ylprop-1-ynyl)quinazolin-4-amine Traditional Name: (3-methyl-4-phenoxy-phenyl)-[6-(3-piperazinoprop-1-ynyl)quinazolin-4-yl]amine Formula: C28H27N5O MolecularWeight: 449.54688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CCN4CCNCC4)OC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CCN4CCNCC4)OC5=CC=CC=C5

InChI

InChI=1S/C28H27N5O/c1-21-18-23(10-12-27(21)34-24-7-3-2-4-8-24)32-28-25-19-22(9-11-26(25)30-20-31-28)6-5-15-33-16-13-29-14-17-33/h2-4,7-12,18-20,29H,13-17H2,1H3,(H,30,31,32)