8-ethoxy-4-[4-(2-fluorophenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole

Systemtic Name: 8-ethoxy-4-[4-(2-fluorophenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole Openeye Name: 8-ethoxy-4-[4-(2-fluorophenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole CAS Name: 8-ethoxy-4-[4-(2-fluorophenyl)-1-piperazinyl]-5H-pyrimido[5,4-b]indole IUPAC Name: 8-ethoxy-4-[4-(2-fluorophenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole Traditional Name: 8-ethoxy-4-[4-(2-fluorophenyl)piperazino]-5H-pyrimid[5,4-b]indole Formula: C22H22FN5O MolecularWeight: 391.441383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC3=C2N=CN=C3N4CCN(CC4)C5=CC=CC=C5F

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC3=C2N=CN=C3N4CCN(CC4)C5=CC=CC=C5F

InChI

InChI=1S/C22H22FN5O/c1-2-29-15-7-8-18-16(13-15)20-21(26-18)22(25-14-24-20)28-11-9-27(10-12-28)19-6-4-3-5-17(19)23/h3-8,13-14,26H,2,9-12H2,1H3