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

Systemtic Name: 1-[4-[4-[2-[3,4-bis(fluoranyl)phenyl]ethyl]piperazin-1-yl]-8-nitro-5H-pyrimido[5,4-b]indol-2-yl]-N,N-dimethyl-methanamine Openeye Name: 1-[4-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-8-nitro-5H-pyrimido[5,4-b]indol-2-yl]-N,N-dimethyl-methanamine CAS Name: 1-[4-[4-[2-(3,4-difluorophenyl)ethyl]-1-piperazinyl]-8-nitro-5H-pyrimido[5,4-b]indol-2-yl]-N,N-dimethylmethanamine IUPAC Name: 1-[4-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-8-nitro-5H-pyrimido[5,4-b]indol-2-yl]-N,N-dimethylmethanamine Traditional Name: [4-[4-[2-(3,4-difluorophenyl)ethyl]piperazino]-8-nitro-5H-pyrimid[5,4-b]indol-2-yl]methyl-dimethyl-amine Formula: C25H27F2N7O2 MolecularWeight: 495.524386

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=NC2=C(C(=N1)N3CCN(CC3)CCC4=CC(=C(C=C4)F)F)NC5=C2C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CN(C)CC1=NC2=C(C(=N1)N3CCN(CC3)CCC4=CC(=C(C=C4)F)F)NC5=C2C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H27F2N7O2/c1-31(2)15-22-29-23-18-14-17(34(35)36)4-6-21(18)28-24(23)25(30-22)33-11-9-32(10-12-33)8-7-16-3-5-19(26)20(27)13-16/h3-6,13-14,28H,7-12,15H2,1-2H3