1,3-bis[2-oxidanyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propoxy]quinazoline-2,4-dione

Systemtic Name: 1,3-bis[2-oxidanyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propoxy]quinazoline-2,4-dione Openeye Name: 1,3-bis[3-[4-[(E)-cinnamyl]piperazin-1-yl]-2-hydroxy-propoxy]quinazoline-2,4-dione CAS Name: 1,3-bis[2-hydroxy-3-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]propoxy]quinazoline-2,4-dione IUPAC Name: 1,3-bis[2-hydroxy-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propoxy]quinazoline-2,4-dione Traditional Name: 1,3-bis[3-[4-[(E)-cinnamyl]piperazino]-2-hydroxy-propoxy]quinazoline-2,4-quinone Formula: C40H50N6O6 MolecularWeight: 710.8616

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC=CC2=CC=CC=C2)CC(CON3C4=CC=CC=C4C(=O)N(C3=O)OCC(CN5CCN(CC5)CC=CC6=CC=CC=C6)O)O

Isomeric SMILES

C1CN(CCN1C/C=C/C2=CC=CC=C2)CC(CON3C4=CC=CC=C4C(=O)N(C3=O)OCC(CN5CCN(CC5)C/C=C/C6=CC=CC=C6)O)O

InChI

InChI=1S/C40H50N6O6/c47-35(29-43-25-21-41(22-26-43)19-9-15-33-11-3-1-4-12-33)31-51-45-38-18-8-7-17-37(38)39(49)46(40(45)50)52-32-36(48)30-44-27-23-42(24-28-44)20-10-16-34-13-5-2-6-14-34/h1-18,35-36,47-48H,19-32H2/b15-9+,16-10+