4-[3-[[5-nitro-6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)pyrimidin-4-yl]amino]propyl]-1,2-dihydropyrazol-3-one

Systemtic Name: 4-[3-[[5-nitro-6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)pyrimidin-4-yl]amino]propyl]-1,2-dihydropyrazol-3-one Openeye Name: 4-[3-[[5-nitro-6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)pyrimidin-4-yl]amino]propyl]-1,2-dihydropyrazol-3-one CAS Name: 4-[3-[[5-nitro-6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-4-pyrimidinyl]amino]propyl]-1,2-dihydropyrazol-3-one IUPAC Name: 4-[3-[[5-nitro-6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)pyrimidin-4-yl]amino]propyl]-1,2-dihydropyrazol-3-one Traditional Name: 4-[3-[[5-nitro-6-(1,3,4,9-tetrahydro-$b-carbolin-2-yl)pyrimidin-4-yl]amino]propyl]-3-pyrazolin-3-one Formula: C21H22N8O3 MolecularWeight: 434.45118

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C3=CC=CC=C3N2)C4=C(C(=NC=N4)NCCCC5=CNNC5=O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=C1C3=CC=CC=C3N2)C4=C(C(=NC=N4)NCCCC5=CNNC5=O)[N+](=O)[O-]

InChI

InChI=1S/C21H22N8O3/c30-21-13(10-25-27-21)4-3-8-22-19-18(29(31)32)20(24-12-23-19)28-9-7-15-14-5-1-2-6-16(14)26-17(15)11-28/h1-2,5-6,10,12,26H,3-4,7-9,11H2,(H,22,23,24)(H2,25,27,30)