4-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole

Systemtic Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole Openeye Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole CAS Name: 4-[4-(4-fluorophenyl)-1-piperazinyl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole IUPAC Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole Traditional Name: 4-[4-(4-fluorophenyl)piperazino]-7,8-dimethoxy-5H-pyrimid[5,4-b]indole Formula: C22H22FN5O2 MolecularWeight: 407.440783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3=C(N2)C(=NC=N3)N4CCN(CC4)C5=CC=C(C=C5)F)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=C(N2)C(=NC=N3)N4CCN(CC4)C5=CC=C(C=C5)F)OC

InChI

InChI=1S/C22H22FN5O2/c1-29-18-11-16-17(12-19(18)30-2)26-21-20(16)24-13-25-22(21)28-9-7-27(8-10-28)15-5-3-14(23)4-6-15/h3-6,11-13,26H,7-10H2,1-2H3