[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-(3-methoxy-4-phenylmethoxy-phenyl)methanone

Systemtic Name: [4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-(3-methoxy-4-phenylmethoxy-phenyl)methanone Openeye Name: [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-(4-benzyloxy-3-methoxy-phenyl)methanone CAS Name: [4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-(3-methoxy-4-phenylmethoxyphenyl)methanone IUPAC Name: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone Traditional Name: [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-(4-benzoxy-3-methoxy-phenyl)methanone Formula: C29H31N5O5 MolecularWeight: 529.58694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC)OCC5=CC=CC=C5

InChI

InChI=1S/C29H31N5O5/c1-36-24-15-20(9-10-23(24)39-18-19-7-5-4-6-8-19)28(35)33-11-13-34(14-12-33)29-31-22-17-26(38-3)25(37-2)16-21(22)27(30)32-29/h4-10,15-17H,11-14,18H2,1-3H3,(H2,30,31,32)