3-[4-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-4-oxidanylidene-butyl]quinazolin-4-one

Systemtic Name: 3-[4-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-4-oxidanylidene-butyl]quinazolin-4-one Openeye Name: 3-[4-[4-(5-bromo-2-pyridyl)piperazin-1-yl]-4-oxo-butyl]quinazolin-4-one CAS Name: 3-[4-[4-(5-bromo-2-pyridinyl)-1-piperazinyl]-4-oxobutyl]-4-quinazolinone IUPAC Name: 3-[4-[4-(5-bromopyridin-2-yl)piperazin-1-yl]-4-oxobutyl]quinazolin-4-one Traditional Name: 3-[4-[4-(5-bromo-2-pyridyl)piperazino]-4-keto-butyl]quinazolin-4-one Formula: C21H22BrN5O2 MolecularWeight: 456.33568

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)Br)C(=O)CCCN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)Br)C(=O)CCCN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C21H22BrN5O2/c22-16-7-8-19(23-14-16)25-10-12-26(13-11-25)20(28)6-3-9-27-15-24-18-5-2-1-4-17(18)21(27)29/h1-2,4-5,7-8,14-15H,3,6,9-13H2