1-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-2-(2-chloranylphenoxy)ethanone

Systemtic Name: 1-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-2-(2-chloranylphenoxy)ethanone Openeye Name: 1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-2-(2-chlorophenoxy)ethanone CAS Name: 1-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-2-(2-chlorophenoxy)ethanone IUPAC Name: 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-(2-chlorophenoxy)ethanone Traditional Name: 1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-2-(2-chlorophenoxy)ethanone Formula: C22H24ClN5O4 MolecularWeight: 457.91006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)COC4=CC=CC=C4Cl)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)COC4=CC=CC=C4Cl)N)OC

InChI

InChI=1S/C22H24ClN5O4/c1-30-18-11-14-16(12-19(18)31-2)25-22(26-21(14)24)28-9-7-27(8-10-28)20(29)13-32-17-6-4-3-5-15(17)23/h3-6,11-12H,7-10,13H2,1-2H3,(H2,24,25,26)