N-[4-[4-[2-[3,4-bis(fluoranyl)phenyl]ethyl]piperazin-1-yl]-5H-pyrimido[5,4-b]indol-8-yl]-4-methyl-benzamide

Systemtic Name: N-[4-[4-[2-[3,4-bis(fluoranyl)phenyl]ethyl]piperazin-1-yl]-5H-pyrimido[5,4-b]indol-8-yl]-4-methyl-benzamide Openeye Name: N-[4-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-5H-pyrimido[5,4-b]indol-8-yl]-4-methyl-benzamide CAS Name: N-[4-[4-[2-(3,4-difluorophenyl)ethyl]-1-piperazinyl]-5H-pyrimido[5,4-b]indol-8-yl]-4-methylbenzamide IUPAC Name: N-[4-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-5H-pyrimido[5,4-b]indol-8-yl]-4-methylbenzamide Traditional Name: N-[4-[4-[2-(3,4-difluorophenyl)ethyl]piperazino]-5H-pyrimid[5,4-b]indol-8-yl]-4-methyl-benzamide Formula: C30H28F2N6O MolecularWeight: 526.579726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)NC4=C3N=CN=C4N5CCN(CC5)CCC6=CC(=C(C=C6)F)F

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)NC4=C3N=CN=C4N5CCN(CC5)CCC6=CC(=C(C=C6)F)F

InChI

InChI=1S/C30H28F2N6O/c1-19-2-5-21(6-3-19)30(39)35-22-7-9-26-23(17-22)27-28(36-26)29(34-18-33-27)38-14-12-37(13-15-38)11-10-20-4-8-24(31)25(32)16-20/h2-9,16-18,36H,10-15H2,1H3,(H,35,39)