2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinazolin-4-yl]amino]ethanol

Systemtic Name: 2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinazolin-4-yl]amino]ethanol Openeye Name: 2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinazolin-4-yl]amino]ethanol CAS Name: 2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4-quinazolinyl]amino]ethanol IUPAC Name: 2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinazolin-4-yl]amino]ethanol Traditional Name: 2-[[2-(4-piperonylpiperazino)quinazolin-4-yl]amino]ethanol Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5C(=N4)NCCO

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5C(=N4)NCCO

InChI

InChI=1S/C22H25N5O3/c28-12-7-23-21-17-3-1-2-4-18(17)24-22(25-21)27-10-8-26(9-11-27)14-16-5-6-19-20(13-16)30-15-29-19/h1-6,13,28H,7-12,14-15H2,(H,23,24,25)