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

Systemtic Name: [4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-(3-nitrophenyl)methanone Openeye Name: [4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-(3-nitrophenyl)methanone CAS Name: [4-(3-methyl-1-phenyl-6-propyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-(3-nitrophenyl)methanone IUPAC Name: [4-(3-methyl-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-(3-nitrophenyl)methanone Traditional Name: [4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-(3-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(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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