7-methoxy-4-[4-(4-nitrophenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole

Systemtic Name: 7-methoxy-4-[4-(4-nitrophenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole Openeye Name: 7-methoxy-4-[4-(4-nitrophenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole CAS Name: 7-methoxy-4-[4-(4-nitrophenyl)-1-piperazinyl]-5H-pyrimido[5,4-b]indole IUPAC Name: 7-methoxy-4-[4-(4-nitrophenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole Traditional Name: 7-methoxy-4-[4-(4-nitrophenyl)piperazino]-5H-pyrimid[5,4-b]indole Formula: C21H20N6O3 MolecularWeight: 404.4219

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=C(N2)C(=NC=N3)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)C3=C(N2)C(=NC=N3)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H20N6O3/c1-30-16-6-7-17-18(12-16)24-20-19(17)22-13-23-21(20)26-10-8-25(9-11-26)14-2-4-15(5-3-14)27(28)29/h2-7,12-13,24H,8-11H2,1H3