2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(prop-2-enylamino)-7,8-dihydro-6H-quinazolin-5-one

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(prop-2-enylamino)-7,8-dihydro-6H-quinazolin-5-one Openeye Name: 4-(allylamino)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4-(prop-2-enylamino)-7,8-dihydro-6H-quinazolin-5-one IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(prop-2-enylamino)-7,8-dihydro-6H-quinazolin-5-one Traditional Name: 4-(allylamino)-2-(4-piperonylpiperazino)-7,8-dihydro-6H-quinazolin-5-one Formula: C23H27N5O3 MolecularWeight: 421.49218

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=NC2=C1C(=O)CCC2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C=CCNC1=NC(=NC2=C1C(=O)CCC2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H27N5O3/c1-2-8-24-22-21-17(4-3-5-18(21)29)25-23(26-22)28-11-9-27(10-12-28)14-16-6-7-19-20(13-16)31-15-30-19/h2,6-7,13H,1,3-5,8-12,14-15H2,(H,24,25,26)