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

Systemtic Name: 4-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]-5H-pyrimido[5,4-b]indole Openeye Name: 4-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]-5H-pyrimido[5,4-b]indole CAS Name: 4-[4-[(4-nitrophenyl)methyl]-1-piperazinyl]-5H-pyrimido[5,4-b]indole IUPAC Name: 4-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]-5H-pyrimido[5,4-b]indole Traditional Name: 4-[4-(4-nitrobenzyl)piperazino]-5H-pyrimid[5,4-b]indole Formula: C21H20N6O2 MolecularWeight: 388.4225

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)[N+](=O)[O-])C3=NC=NC4=C3NC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)[N+](=O)[O-])C3=NC=NC4=C3NC5=CC=CC=C54

InChI

InChI=1S/C21H20N6O2/c28-27(29)16-7-5-15(6-8-16)13-25-9-11-26(12-10-25)21-20-19(22-14-23-21)17-3-1-2-4-18(17)24-20/h1-8,14,24H,9-13H2