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

Systemtic Name: [4-(6-butyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone Openeye Name: [4-(6-butyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone CAS Name: [4-(6-butyl-3-methyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-(4-methyl-3-nitrophenyl)methanone IUPAC Name: [4-(6-butyl-3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone Traditional Name: [4-(6-butyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-(4-methyl-3-nitro-phenyl)methanone Formula: C28H31N7O3 MolecularWeight: 513.59084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCN(CC4)C(=O)C5=CC(=C(C=C5)C)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCN(CC4)C(=O)C5=CC(=C(C=C5)C)[N+](=O)[O-]

InChI

InChI=1S/C28H31N7O3/c1-4-5-11-24-29-26(25-20(3)31-34(27(25)30-24)22-9-7-6-8-10-22)32-14-16-33(17-15-32)28(36)21-13-12-19(2)23(18-21)35(37)38/h6-10,12-13,18H,4-5,11,14-17H2,1-3H3