1-(4-ethylpiperazin-1-yl)-3-[[2-(furan-2-yl)quinazolin-4-yl]-(phenylmethyl)amino]propan-1-one

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-[[2-(furan-2-yl)quinazolin-4-yl]-(phenylmethyl)amino]propan-1-one Openeye Name: 3-[benzyl-[2-(2-furyl)quinazolin-4-yl]amino]-1-(4-ethylpiperazin-1-yl)propan-1-one CAS Name: 1-(4-ethyl-1-piperazinyl)-3-[[2-(2-furanyl)-4-quinazolinyl]-(phenylmethyl)amino]-1-propanone IUPAC Name: 3-[benzyl-[2-(furan-2-yl)quinazolin-4-yl]amino]-1-(4-ethylpiperazin-1-yl)propan-1-one Traditional Name: 3-[benzyl-[2-(2-furyl)quinazolin-4-yl]amino]-1-(4-ethylpiperazino)propan-1-one Formula: C28H31N5O2 MolecularWeight: 469.57804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)CCN(CC2=CC=CC=C2)C3=NC(=NC4=CC=CC=C43)C5=CC=CO5

Isomeric SMILES

CCN1CCN(CC1)C(=O)CCN(CC2=CC=CC=C2)C3=NC(=NC4=CC=CC=C43)C5=CC=CO5

InChI

InChI=1S/C28H31N5O2/c1-2-31-16-18-32(19-17-31)26(34)14-15-33(21-22-9-4-3-5-10-22)28-23-11-6-7-12-24(23)29-27(30-28)25-13-8-20-35-25/h3-13,20H,2,14-19,21H2,1H3