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

Systemtic Name: 3-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethyl]-2-methyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethyl]-2-methyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-[2-[4-(4-tert-butylphenyl)-1-piperazinyl]ethyl]-2-methyl-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethyl]-2-methyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-[2-[4-(4-tert-butylphenyl)piperazino]ethyl]-2-methyl-5H-pyrimid[5,4-b]indol-4-one Formula: C27H33N5O MolecularWeight: 443.58382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=O)N1CCN3CCN(CC3)C4=CC=C(C=C4)C(C)(C)C)NC5=CC=CC=C52

Isomeric SMILES

CC1=NC2=C(C(=O)N1CCN3CCN(CC3)C4=CC=C(C=C4)C(C)(C)C)NC5=CC=CC=C52

InChI

InChI=1S/C27H33N5O/c1-19-28-24-22-7-5-6-8-23(22)29-25(24)26(33)32(19)18-15-30-13-16-31(17-14-30)21-11-9-20(10-12-21)27(2,3)4/h5-12,29H,13-18H2,1-4H3