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

Systemtic Name: [4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-(4-phenoxyphenyl)methanone Openeye Name: [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-(4-phenoxyphenyl)methanone CAS Name: [4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-(4-phenoxyphenyl)methanone IUPAC Name: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(4-phenoxyphenyl)methanone Traditional Name: [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-(4-phenoxyphenyl)methanone Formula: C27H27N5O4 MolecularWeight: 485.53438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)OC5=CC=CC=C5)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)OC5=CC=CC=C5)N)OC

InChI

InChI=1S/C27H27N5O4/c1-34-23-16-21-22(17-24(23)35-2)29-27(30-25(21)28)32-14-12-31(13-15-32)26(33)18-8-10-20(11-9-18)36-19-6-4-3-5-7-19/h3-11,16-17H,12-15H2,1-2H3,(H2,28,29,30)