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

Systemtic Name: [4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone Openeye Name: [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-(3-benzyloxyphenyl)methanone CAS Name: [4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-(3-phenylmethoxyphenyl)methanone IUPAC Name: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone Traditional Name: [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-(3-benzoxyphenyl)methanone Formula: C28H29N5O4 MolecularWeight: 499.56096

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(=CC=C4)OCC5=CC=CC=C5)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)OCC5=CC=CC=C5)N)OC

InChI

InChI=1S/C28H29N5O4/c1-35-24-16-22-23(17-25(24)36-2)30-28(31-26(22)29)33-13-11-32(12-14-33)27(34)20-9-6-10-21(15-20)37-18-19-7-4-3-5-8-19/h3-10,15-17H,11-14,18H2,1-2H3,(H2,29,30,31)