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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-methyl-4-(methylamino)-7,8-dihydro-6H-quinazolin-5-one Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-methyl-4-(methylamino)-7,8-dihydro-6H-quinazolin-5-one CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-7-methyl-4-(methylamino)-7,8-dihydro-6H-quinazolin-5-one IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-methyl-4-(methylamino)-7,8-dihydro-6H-quinazolin-5-one Traditional Name: 7-methyl-4-(methylamino)-2-(4-piperonylpiperazino)-7,8-dihydro-6H-quinazolin-5-one Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C(=O)C1)C(=NC(=N2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)NC

Isomeric SMILES

CC1CC2=C(C(=O)C1)C(=NC(=N2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)NC

InChI

InChI=1S/C22H27N5O3/c1-14-9-16-20(17(28)10-14)21(23-2)25-22(24-16)27-7-5-26(6-8-27)12-15-3-4-18-19(11-15)30-13-29-18/h3-4,11,14H,5-10,12-13H2,1-2H3,(H,23,24,25)