4-[4-[2-[3,4-bis(fluoranyl)phenyl]ethyl]piperazin-1-yl]-5-[(4-methoxyphenyl)methyl]-9-nitro-pyrimido[5,4-b]indole

Systemtic Name: 4-[4-[2-[3,4-bis(fluoranyl)phenyl]ethyl]piperazin-1-yl]-5-[(4-methoxyphenyl)methyl]-9-nitro-pyrimido[5,4-b]indole Openeye Name: 4-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-5-[(4-methoxyphenyl)methyl]-9-nitro-pyrimido[5,4-b]indole CAS Name: 4-[4-[2-(3,4-difluorophenyl)ethyl]-1-piperazinyl]-5-[(4-methoxyphenyl)methyl]-9-nitropyrimido[5,4-b]indole IUPAC Name: 4-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-5-[(4-methoxyphenyl)methyl]-9-nitropyrimido[5,4-b]indole Traditional Name: 4-[4-[2-(3,4-difluorophenyl)ethyl]piperazino]-9-nitro-5-p-anisyl-pyrimid[5,4-b]indole Formula: C30H28F2N6O3 MolecularWeight: 558.578526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C3=C(C(=CC=C3)[N+](=O)[O-])C4=C2C(=NC=N4)N5CCN(CC5)CCC6=CC(=C(C=C6)F)F

Isomeric SMILES

COC1=CC=C(C=C1)CN2C3=C(C(=CC=C3)[N+](=O)[O-])C4=C2C(=NC=N4)N5CCN(CC5)CCC6=CC(=C(C=C6)F)F

InChI

InChI=1S/C30H28F2N6O3/c1-41-22-8-5-21(6-9-22)18-37-25-3-2-4-26(38(39)40)27(25)28-29(37)30(34-19-33-28)36-15-13-35(14-16-36)12-11-20-7-10-23(31)24(32)17-20/h2-10,17,19H,11-16,18H2,1H3