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

Systemtic Name: 8-ethoxy-4-[4-(4-nitrophenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole Openeye Name: 8-ethoxy-4-[4-(4-nitrophenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole CAS Name: 8-ethoxy-4-[4-(4-nitrophenyl)-1-piperazinyl]-5H-pyrimido[5,4-b]indole IUPAC Name: 8-ethoxy-4-[4-(4-nitrophenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole Traditional Name: 8-ethoxy-4-[4-(4-nitrophenyl)piperazino]-5H-pyrimid[5,4-b]indole Formula: C22H22N6O3 MolecularWeight: 418.44848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC3=C2N=CN=C3N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC3=C2N=CN=C3N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H22N6O3/c1-2-31-17-7-8-19-18(13-17)20-21(25-19)22(24-14-23-20)27-11-9-26(10-12-27)15-3-5-16(6-4-15)28(29)30/h3-8,13-14,25H,2,9-12H2,1H3