3-(4-bromophenyl)-2-[1-(4-hexanoyl-3-methyl-piperazin-1-yl)propyl]quinazolin-4-one

Systemtic Name: 3-(4-bromophenyl)-2-[1-(4-hexanoyl-3-methyl-piperazin-1-yl)propyl]quinazolin-4-one Openeye Name: 3-(4-bromophenyl)-2-[1-(4-hexanoyl-3-methyl-piperazin-1-yl)propyl]quinazolin-4-one CAS Name: 3-(4-bromophenyl)-2-[1-[3-methyl-4-(1-oxohexyl)-1-piperazinyl]propyl]-4-quinazolinone IUPAC Name: 3-(4-bromophenyl)-2-[1-(4-hexanoyl-3-methylpiperazin-1-yl)propyl]quinazolin-4-one Traditional Name: 3-(4-bromophenyl)-2-[1-(4-caproyl-3-methyl-piperazino)propyl]quinazolin-4-one Formula: C28H35BrN4O2 MolecularWeight: 539.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCN(CC1C)C(CC)C2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Br

Isomeric SMILES

CCCCCC(=O)N1CCN(CC1C)C(CC)C2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Br

InChI

InChI=1S/C28H35BrN4O2/c1-4-6-7-12-26(34)32-18-17-31(19-20(32)3)25(5-2)27-30-24-11-9-8-10-23(24)28(35)33(27)22-15-13-21(29)14-16-22/h8-11,13-16,20,25H,4-7,12,17-19H2,1-3H3