3-(4-bromophenyl)-2-[1-[4-(2-ethylhexanoyl)-3-methyl-piperazin-1-yl]ethyl]quinazolin-4-one

Systemtic Name: 3-(4-bromophenyl)-2-[1-[4-(2-ethylhexanoyl)-3-methyl-piperazin-1-yl]ethyl]quinazolin-4-one Openeye Name: 3-(4-bromophenyl)-2-[1-[4-(2-ethylhexanoyl)-3-methyl-piperazin-1-yl]ethyl]quinazolin-4-one CAS Name: 3-(4-bromophenyl)-2-[1-[4-(2-ethyl-1-oxohexyl)-3-methyl-1-piperazinyl]ethyl]-4-quinazolinone IUPAC Name: 3-(4-bromophenyl)-2-[1-[4-(2-ethylhexanoyl)-3-methylpiperazin-1-yl]ethyl]quinazolin-4-one Traditional Name: 3-(4-bromophenyl)-2-[1-[4-(2-ethylhexanoyl)-3-methyl-piperazino]ethyl]quinazolin-4-one Formula: C29H37BrN4O2 MolecularWeight: 553.53368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H37BrN4O2/c1-5-7-10-22(6-2)28(35)33-18-17-32(19-20(33)3)21(4)27-31-26-12-9-8-11-25(26)29(36)34(27)24-15-13-23(30)14-16-24/h8-9,11-16,20-22H,5-7,10,17-19H2,1-4H3