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

Systemtic Name: 3-(4-bromophenyl)-2-[1-(3-methyl-4-octanoyl-piperazin-1-yl)propyl]quinazolin-4-one Openeye Name: 3-(4-bromophenyl)-2-[1-(3-methyl-4-octanoyl-piperazin-1-yl)propyl]quinazolin-4-one CAS Name: 3-(4-bromophenyl)-2-[1-[3-methyl-4-(1-oxooctyl)-1-piperazinyl]propyl]-4-quinazolinone IUPAC Name: 3-(4-bromophenyl)-2-[1-(3-methyl-4-octanoylpiperazin-1-yl)propyl]quinazolin-4-one Traditional Name: 3-(4-bromophenyl)-2-[1-(4-caprylyl-3-methyl-piperazino)propyl]quinazolin-4-one Formula: C30H39BrN4O2 MolecularWeight: 567.56026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H39BrN4O2/c1-4-6-7-8-9-14-28(36)34-20-19-33(21-22(34)3)27(5-2)29-32-26-13-11-10-12-25(26)30(37)35(29)24-17-15-23(31)16-18-24/h10-13,15-18,22,27H,4-9,14,19-21H2,1-3H3