N-[4-[(3-ethynylphenyl)amino]quinazolin-6-yl]-2-[4-(2-methoxyethyl)piperazin-1-yl]ethanamide

Systemtic Name: N-[4-[(3-ethynylphenyl)amino]quinazolin-6-yl]-2-[4-(2-methoxyethyl)piperazin-1-yl]ethanamide Openeye Name: N-[4-(3-ethynylanilino)quinazolin-6-yl]-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide CAS Name: N-[4-(3-ethynylanilino)-6-quinazolinyl]-2-[4-(2-methoxyethyl)-1-piperazinyl]acetamide IUPAC Name: N-[4-(3-ethynylanilino)quinazolin-6-yl]-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide Traditional Name: N-[4-(3-ethynylanilino)quinazolin-6-yl]-2-[4-(2-methoxyethyl)piperazino]acetamide Formula: C25H28N6O2 MolecularWeight: 444.52882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN1CCN(CC1)CC(=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC=CC(=C4)C#C

Isomeric SMILES

COCCN1CCN(CC1)CC(=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC=CC(=C4)C#C

InChI

InChI=1S/C25H28N6O2/c1-3-19-5-4-6-20(15-19)29-25-22-16-21(7-8-23(22)26-18-27-25)28-24(32)17-31-11-9-30(10-12-31)13-14-33-2/h1,4-8,15-16,18H,9-14,17H2,2H3,(H,28,32)(H,26,27,29)