6-bromanyl-3-[3-oxidanylidene-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]quinazolin-4-one

Systemtic Name: 6-bromanyl-3-[3-oxidanylidene-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]quinazolin-4-one Openeye Name: 6-bromo-3-[3-oxo-3-[4-(2-pyridylmethyl)piperazin-1-yl]propyl]quinazolin-4-one CAS Name: 6-bromo-3-[3-oxo-3-[4-(2-pyridinylmethyl)-1-piperazinyl]propyl]-4-quinazolinone IUPAC Name: 6-bromo-3-[3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]quinazolin-4-one Traditional Name: 6-bromo-3-[3-keto-3-[4-(2-pyridylmethyl)piperazino]propyl]quinazolin-4-one Formula: C21H22BrN5O2 MolecularWeight: 456.33568

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=N2)C(=O)CCN3C=NC4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=N2)C(=O)CCN3C=NC4=C(C3=O)C=C(C=C4)Br

InChI

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