(2-tert-butyl-7-methyl-pyrazolo[1,5-a]pyrimidin-6-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: (2-tert-butyl-7-methyl-pyrazolo[1,5-a]pyrimidin-6-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: (2-tert-butyl-7-methyl-pyrazolo[1,5-a]pyrimidin-6-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: (2-tert-butyl-7-methyl-6-pyrazolo[1,5-a]pyrimidinyl)-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (2-tert-butyl-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (2-tert-butyl-7-methyl-pyrazolo[1,5-a]pyrimidin-6-yl)-[4-(4-nitrophenyl)piperazino]methanone Formula: C22H26N6O3 MolecularWeight: 422.48024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NC2=CC(=NN12)C(C)(C)C)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=NC2=CC(=NN12)C(C)(C)C)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H26N6O3/c1-15-18(14-23-20-13-19(22(2,3)4)24-27(15)20)21(29)26-11-9-25(10-12-26)16-5-7-17(8-6-16)28(30)31/h5-8,13-14H,9-12H2,1-4H3