4-[4-(3-chlorophenyl)piperazin-1-yl]-8-fluoranyl-5H-pyrimido[5,4-b]indole

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-8-fluoranyl-5H-pyrimido[5,4-b]indole Openeye Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-8-fluoro-5H-pyrimido[5,4-b]indole CAS Name: 4-[4-(3-chlorophenyl)-1-piperazinyl]-8-fluoro-5H-pyrimido[5,4-b]indole IUPAC Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-8-fluoro-5H-pyrimido[5,4-b]indole Traditional Name: 4-[4-(3-chlorophenyl)piperazino]-8-fluoro-5H-pyrimid[5,4-b]indole Formula: C20H17ClFN5 MolecularWeight: 381.833883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=NC=NC4=C3NC5=C4C=C(C=C5)F

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=NC=NC4=C3NC5=C4C=C(C=C5)F

InChI

InChI=1S/C20H17ClFN5/c21-13-2-1-3-15(10-13)26-6-8-27(9-7-26)20-19-18(23-12-24-20)16-11-14(22)4-5-17(16)25-19/h1-5,10-12,25H,6-9H2