3-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxidanylidene-butyl]quinazolin-4-one

Systemtic Name: 3-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxidanylidene-butyl]quinazolin-4-one Openeye Name: 3-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxo-butyl]quinazolin-4-one CAS Name: 3-[4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4-oxobutyl]-4-quinazolinone IUPAC Name: 3-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxobutyl]quinazolin-4-one Traditional Name: 3-[4-keto-4-(4-piperonylpiperazino)butyl]quinazolin-4-one Formula: C24H26N4O4 MolecularWeight: 434.48764

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCCN4C=NC5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCCN4C=NC5=CC=CC=C5C4=O

InChI

InChI=1S/C24H26N4O4/c29-23(6-3-9-28-16-25-20-5-2-1-4-19(20)24(28)30)27-12-10-26(11-13-27)15-18-7-8-21-22(14-18)32-17-31-21/h1-2,4-5,7-8,14,16H,3,6,9-13,15,17H2