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

Systemtic Name: 3-[2-[4-(4-propan-2-ylphenyl)piperazin-1-yl]ethyl]-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-[2-[4-(4-isopropylphenyl)piperazin-1-yl]ethyl]-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-[2-[4-(4-propan-2-ylphenyl)-1-piperazinyl]ethyl]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-[2-[4-(4-propan-2-ylphenyl)piperazin-1-yl]ethyl]-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-[2-(4-p-cumenylpiperazino)ethyl]-5H-pyrimid[5,4-b]indol-4-one Formula: C25H29N5O MolecularWeight: 415.53066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N5O/c1-18(2)19-7-9-20(10-8-19)29-14-11-28(12-15-29)13-16-30-17-26-23-21-5-3-4-6-22(21)27-24(23)25(30)31/h3-10,17-18,27H,11-16H2,1-2H3