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

Systemtic Name: N-[4-[4-[2-[3,4-bis(fluoranyl)phenyl]ethyl]piperazin-1-yl]-5H-pyrimido[5,4-b]indol-8-yl]-2-phenoxy-ethanamide Openeye Name: N-[4-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-5H-pyrimido[5,4-b]indol-8-yl]-2-phenoxy-acetamide CAS Name: N-[4-[4-[2-(3,4-difluorophenyl)ethyl]-1-piperazinyl]-5H-pyrimido[5,4-b]indol-8-yl]-2-phenoxyacetamide IUPAC Name: N-[4-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-5H-pyrimido[5,4-b]indol-8-yl]-2-phenoxyacetamide Traditional Name: N-[4-[4-[2-(3,4-difluorophenyl)ethyl]piperazino]-5H-pyrimid[5,4-b]indol-8-yl]-2-phenoxy-acetamide Formula: C30H28F2N6O2 MolecularWeight: 542.579126

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC(=C(C=C2)F)F)C3=NC=NC4=C3NC5=C4C=C(C=C5)NC(=O)COC6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CCC2=CC(=C(C=C2)F)F)C3=NC=NC4=C3NC5=C4C=C(C=C5)NC(=O)COC6=CC=CC=C6

InChI

InChI=1S/C30H28F2N6O2/c31-24-8-6-20(16-25(24)32)10-11-37-12-14-38(15-13-37)30-29-28(33-19-34-30)23-17-21(7-9-26(23)36-29)35-27(39)18-40-22-4-2-1-3-5-22/h1-9,16-17,19,36H,10-15,18H2,(H,35,39)