3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-[3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-[3-[4-(2-methoxyphenyl)piperazino]propyl]-5H-pyrimid[5,4-b]indol-4-one Formula: C24H27N5O2 MolecularWeight: 417.50348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCCN3C=NC4=C(C3=O)NC5=CC=CC=C54

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCCN3C=NC4=C(C3=O)NC5=CC=CC=C54

InChI

InChI=1S/C24H27N5O2/c1-31-21-10-5-4-9-20(21)28-15-13-27(14-16-28)11-6-12-29-17-25-22-18-7-2-3-8-19(18)26-23(22)24(29)30/h2-5,7-10,17,26H,6,11-16H2,1H3