8-methoxy-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-5H-pyrimido[5,4-b]indole

Systemtic Name: 8-methoxy-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-5H-pyrimido[5,4-b]indole Openeye Name: 8-methoxy-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-5H-pyrimido[5,4-b]indole CAS Name: 8-methoxy-4-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-5H-pyrimido[5,4-b]indole IUPAC Name: 8-methoxy-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-5H-pyrimido[5,4-b]indole Traditional Name: 8-methoxy-4-[4-[3-(trifluoromethyl)phenyl]piperazino]-5H-pyrimid[5,4-b]indole Formula: C22H20F3N5O MolecularWeight: 427.42231

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC3=C2N=CN=C3N4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2N=CN=C3N4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F

InChI

InChI=1S/C22H20F3N5O/c1-31-16-5-6-18-17(12-16)19-20(28-18)21(27-13-26-19)30-9-7-29(8-10-30)15-4-2-3-14(11-15)22(23,24)25/h2-6,11-13,28H,7-10H2,1H3