N-[[4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[4-[4-(2-methoxyphenyl)-1-piperazinyl]-2-quinazolinyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[4-[4-(2-methoxyphenyl)piperazino]quinazolin-2-yl]methyl]-piperonylamide Formula: C28H27N5O4 MolecularWeight: 497.54508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=NC(=NC4=CC=CC=C43)CNC(=O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=NC(=NC4=CC=CC=C43)CNC(=O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C28H27N5O4/c1-35-23-9-5-4-8-22(23)32-12-14-33(15-13-32)27-20-6-2-3-7-21(20)30-26(31-27)17-29-28(34)19-10-11-24-25(16-19)37-18-36-24/h2-11,16H,12-15,17-18H2,1H3,(H,29,34)