3-[4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-4-oxidanylidene-butyl]quinazolin-4-one

Systemtic Name: 3-[4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-4-oxidanylidene-butyl]quinazolin-4-one Openeye Name: 3-[4-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]-4-oxo-butyl]quinazolin-4-one CAS Name: 3-[4-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-4-oxobutyl]-4-quinazolinone IUPAC Name: 3-[4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-4-oxobutyl]quinazolin-4-one Traditional Name: 3-[4-[4-(coumaran-5-ylmethyl)piperazino]-4-keto-butyl]quinazolin-4-one Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)CCCN4C=NC5=CC=CC=C5C4=O

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)CCCN4C=NC5=CC=CC=C5C4=O

InChI

InChI=1S/C25H28N4O3/c30-24(6-3-10-29-18-26-22-5-2-1-4-21(22)25(29)31)28-13-11-27(12-14-28)17-19-7-8-23-20(16-19)9-15-32-23/h1-2,4-5,7-8,16,18H,3,6,9-15,17H2