5-methyl-8-nitro-4-[4-[2-(4-nitrophenyl)ethyl]piperazin-1-yl]pyrimido[5,4-b]indole

Systemtic Name: 5-methyl-8-nitro-4-[4-[2-(4-nitrophenyl)ethyl]piperazin-1-yl]pyrimido[5,4-b]indole Openeye Name: 5-methyl-8-nitro-4-[4-[2-(4-nitrophenyl)ethyl]piperazin-1-yl]pyrimido[5,4-b]indole CAS Name: 5-methyl-8-nitro-4-[4-[2-(4-nitrophenyl)ethyl]-1-piperazinyl]pyrimido[5,4-b]indole IUPAC Name: 5-methyl-8-nitro-4-[4-[2-(4-nitrophenyl)ethyl]piperazin-1-yl]pyrimido[5,4-b]indole Traditional Name: 5-methyl-8-nitro-4-[4-[2-(4-nitrophenyl)ethyl]piperazino]pyrimid[5,4-b]indole Formula: C23H23N7O4 MolecularWeight: 461.47322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)[N+](=O)[O-])C3=C1C(=NC=N3)N4CCN(CC4)CCC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C=C(C=C2)[N+](=O)[O-])C3=C1C(=NC=N3)N4CCN(CC4)CCC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H23N7O4/c1-26-20-7-6-18(30(33)34)14-19(20)21-22(26)23(25-15-24-21)28-12-10-27(11-13-28)9-8-16-2-4-17(5-3-16)29(31)32/h2-7,14-15H,8-13H2,1H3