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

Systemtic Name: 3-(4-bromophenyl)-2-[1-[3-methyl-4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]propyl]quinazolin-4-one Openeye Name: 3-(4-bromophenyl)-2-[1-[3-methyl-4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]propyl]quinazolin-4-one CAS Name: 3-(4-bromophenyl)-2-[1-[3-methyl-4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]propyl]-4-quinazolinone IUPAC Name: 3-(4-bromophenyl)-2-[1-[3-methyl-4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]propyl]quinazolin-4-one Traditional Name: 3-(4-bromophenyl)-2-[1-[3-methyl-4-[(E)-3-phenylacryloyl]piperazino]propyl]quinazolin-4-one Formula: C31H31BrN4O2 MolecularWeight: 571.50744

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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)C=CC5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C31H31BrN4O2/c1-3-28(34-19-20-35(22(2)21-34)29(37)18-13-23-9-5-4-6-10-23)30-33-27-12-8-7-11-26(27)31(38)36(30)25-16-14-24(32)15-17-25/h4-18,22,28H,3,19-21H2,1-2H3/b18-13+