2-[1-(4-hexanoyl-3-methyl-piperazin-1-yl)ethyl]-3-(2-methoxyphenyl)quinazolin-4-one

Systemtic Name: 2-[1-(4-hexanoyl-3-methyl-piperazin-1-yl)ethyl]-3-(2-methoxyphenyl)quinazolin-4-one Openeye Name: 2-[1-(4-hexanoyl-3-methyl-piperazin-1-yl)ethyl]-3-(2-methoxyphenyl)quinazolin-4-one CAS Name: 3-(2-methoxyphenyl)-2-[1-[3-methyl-4-(1-oxohexyl)-1-piperazinyl]ethyl]-4-quinazolinone IUPAC Name: 2-[1-(4-hexanoyl-3-methylpiperazin-1-yl)ethyl]-3-(2-methoxyphenyl)quinazolin-4-one Traditional Name: 2-[1-(4-caproyl-3-methyl-piperazino)ethyl]-3-(2-methoxyphenyl)quinazolin-4-one Formula: C28H36N4O3 MolecularWeight: 476.61044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCN(CC1C)C(C)C2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4OC

Isomeric SMILES

CCCCCC(=O)N1CCN(CC1C)C(C)C2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4OC

InChI

InChI=1S/C28H36N4O3/c1-5-6-7-16-26(33)31-18-17-30(19-20(31)2)21(3)27-29-23-13-9-8-12-22(23)28(34)32(27)24-14-10-11-15-25(24)35-4/h8-15,20-21H,5-7,16-19H2,1-4H3