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

Systemtic Name: 3-(4-bromophenyl)-2-[1-[4-(3-fluorophenyl)carbonyl-3-methyl-piperazin-1-yl]propyl]quinazolin-4-one Openeye Name: 3-(4-bromophenyl)-2-[1-[4-(3-fluorobenzoyl)-3-methyl-piperazin-1-yl]propyl]quinazolin-4-one CAS Name: 3-(4-bromophenyl)-2-[1-[4-[(3-fluorophenyl)-oxomethyl]-3-methyl-1-piperazinyl]propyl]-4-quinazolinone IUPAC Name: 3-(4-bromophenyl)-2-[1-[4-(3-fluorobenzoyl)-3-methylpiperazin-1-yl]propyl]quinazolin-4-one Traditional Name: 3-(4-bromophenyl)-2-[1-[4-(3-fluorobenzoyl)-3-methyl-piperazino]propyl]quinazolin-4-one Formula: C29H28BrFN4O2 MolecularWeight: 563.460623

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)Br)N4CCN(C(C4)C)C(=O)C5=CC(=CC=C5)F

Isomeric SMILES

CCC(C1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)Br)N4CCN(C(C4)C)C(=O)C5=CC(=CC=C5)F

InChI

InChI=1S/C29H28BrFN4O2/c1-3-26(33-15-16-34(19(2)18-33)28(36)20-7-6-8-22(31)17-20)27-32-25-10-5-4-9-24(25)29(37)35(27)23-13-11-21(30)12-14-23/h4-14,17,19,26H,3,15-16,18H2,1-2H3