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

Systemtic Name: 3-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethyl]-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethyl]-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-[2-[4-(4-tert-butylphenyl)-1-piperazinyl]ethyl]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethyl]-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-[2-[4-(4-tert-butylphenyl)piperazino]ethyl]-5H-pyrimid[5,4-b]indol-4-one Formula: C26H31N5O MolecularWeight: 429.55724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2CCN(CC2)CCN3C=NC4=C(C3=O)NC5=CC=CC=C54

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2CCN(CC2)CCN3C=NC4=C(C3=O)NC5=CC=CC=C54

InChI

InChI=1S/C26H31N5O/c1-26(2,3)19-8-10-20(11-9-19)30-15-12-29(13-16-30)14-17-31-18-27-23-21-6-4-5-7-22(21)28-24(23)25(31)32/h4-11,18,28H,12-17H2,1-3H3