4-[4-(4-fluorophenyl)piperazin-1-yl]-9-methoxy-5H-pyrimido[5,4-b]indole

Systemtic Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-9-methoxy-5H-pyrimido[5,4-b]indole Openeye Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-9-methoxy-5H-pyrimido[5,4-b]indole CAS Name: 4-[4-(4-fluorophenyl)-1-piperazinyl]-9-methoxy-5H-pyrimido[5,4-b]indole IUPAC Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-9-methoxy-5H-pyrimido[5,4-b]indole Traditional Name: 4-[4-(4-fluorophenyl)piperazino]-9-methoxy-5H-pyrimid[5,4-b]indole Formula: C21H20FN5O MolecularWeight: 377.414803

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C3=C(N2)C(=NC=N3)N4CCN(CC4)C5=CC=C(C=C5)F

Isomeric SMILES

COC1=CC=CC2=C1C3=C(N2)C(=NC=N3)N4CCN(CC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C21H20FN5O/c1-28-17-4-2-3-16-18(17)19-20(25-16)21(24-13-23-19)27-11-9-26(10-12-27)15-7-5-14(22)6-8-15/h2-8,13,25H,9-12H2,1H3