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

Systemtic Name: 3-(4-bromophenyl)-2-[1-[4-(2-ethylhexanoyl)-3-methyl-piperazin-1-yl]propyl]quinazolin-4-one Openeye Name: 3-(4-bromophenyl)-2-[1-[4-(2-ethylhexanoyl)-3-methyl-piperazin-1-yl]propyl]quinazolin-4-one CAS Name: 3-(4-bromophenyl)-2-[1-[4-(2-ethyl-1-oxohexyl)-3-methyl-1-piperazinyl]propyl]-4-quinazolinone IUPAC Name: 3-(4-bromophenyl)-2-[1-[4-(2-ethylhexanoyl)-3-methylpiperazin-1-yl]propyl]quinazolin-4-one Traditional Name: 3-(4-bromophenyl)-2-[1-[4-(2-ethylhexanoyl)-3-methyl-piperazino]propyl]quinazolin-4-one Formula: C30H39BrN4O2 MolecularWeight: 567.56026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H39BrN4O2/c1-5-8-11-22(6-2)29(36)34-19-18-33(20-21(34)4)27(7-3)28-32-26-13-10-9-12-25(26)30(37)35(28)24-16-14-23(31)15-17-24/h9-10,12-17,21-22,27H,5-8,11,18-20H2,1-4H3