(4-nitrophenyl)-[4-(6-pentan-2-yl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone

Systemtic Name: (4-nitrophenyl)-[4-(6-pentan-2-yl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone Openeye Name: [4-[6-(1-methylbutyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-(4-nitrophenyl)methanone CAS Name: (4-nitrophenyl)-[4-(6-pentan-2-yl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (4-nitrophenyl)-[4-(6-pentan-2-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone Traditional Name: [4-[6-(1-methylbutyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]piperazino]-(4-nitrophenyl)methanone Formula: C27H29N7O3 MolecularWeight: 499.56426

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCN(CC4)C(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CCCC(C)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCN(CC4)C(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H29N7O3/c1-3-7-19(2)24-29-25(23-18-28-33(26(23)30-24)21-8-5-4-6-9-21)31-14-16-32(17-15-31)27(35)20-10-12-22(13-11-20)34(36)37/h4-6,8-13,18-19H,3,7,14-17H2,1-2H3