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

Systemtic Name: 2-ethyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-ethyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-ethyl-3-[3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-ethyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-ethyl-3-[3-[4-(2-methoxyphenyl)piperazino]propyl]-5H-pyrimid[5,4-b]indol-4-one Formula: C26H31N5O2 MolecularWeight: 445.55664

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=O)N1CCCN3CCN(CC3)C4=CC=CC=C4OC)NC5=CC=CC=C52

Isomeric SMILES

CCC1=NC2=C(C(=O)N1CCCN3CCN(CC3)C4=CC=CC=C4OC)NC5=CC=CC=C52

InChI

InChI=1S/C26H31N5O2/c1-3-23-28-24-19-9-4-5-10-20(19)27-25(24)26(32)31(23)14-8-13-29-15-17-30(18-16-29)21-11-6-7-12-22(21)33-2/h4-7,9-12,27H,3,8,13-18H2,1-2H3