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

Systemtic Name: 3-[4-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-4-oxidanylidene-butyl]quinazolin-4-one Openeye Name: 3-[4-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-4-oxo-butyl]quinazolin-4-one CAS Name: 3-[4-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]-4-oxobutyl]-4-quinazolinone IUPAC Name: 3-[4-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-4-oxobutyl]quinazolin-4-one Traditional Name: 3-[4-keto-4-(4-piperonyloylpiperazino)butyl]quinazolin-4-one Formula: C24H24N4O5 MolecularWeight: 448.47116

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCN2C=NC3=CC=CC=C3C2=O)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1C(=O)CCCN2C=NC3=CC=CC=C3C2=O)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H24N4O5/c29-22(6-3-9-28-15-25-19-5-2-1-4-18(19)24(28)31)26-10-12-27(13-11-26)23(30)17-7-8-20-21(14-17)33-16-32-20/h1-2,4-5,7-8,14-15H,3,6,9-13,16H2