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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one Traditional Name: 7-phenyl-2-(4-piperonylpiperazino)-7,8-dihydro-6H-quinazolin-5-one Formula: C26H26N4O3 MolecularWeight: 442.50964

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=C5C(=N4)CC(CC5=O)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=C5C(=N4)CC(CC5=O)C6=CC=CC=C6

InChI

InChI=1S/C26H26N4O3/c31-23-14-20(19-4-2-1-3-5-19)13-22-21(23)15-27-26(28-22)30-10-8-29(9-11-30)16-18-6-7-24-25(12-18)33-17-32-24/h1-7,12,15,20H,8-11,13-14,16-17H2