[4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-(4-nitrophenyl)methanone

Systemtic Name: [4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-(4-nitrophenyl)methanone Openeye Name: [4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-(4-nitrophenyl)methanone CAS Name: [4-(3-methyl-1-phenyl-6-propyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-(4-nitrophenyl)methanone IUPAC Name: [4-(3-methyl-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-(4-nitrophenyl)methanone Traditional Name: [4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-(4-nitrophenyl)methanone Formula: C26H27N7O3 MolecularWeight: 485.53768

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCN(CC4)C(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCN(CC4)C(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H27N7O3/c1-3-7-22-27-24(23-18(2)29-32(25(23)28-22)20-8-5-4-6-9-20)30-14-16-31(17-15-30)26(34)19-10-12-21(13-11-19)33(35)36/h4-6,8-13H,3,7,14-17H2,1-2H3