(1-tert-butyl-5-propan-2-yl-pyrazol-3-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: (1-tert-butyl-5-propan-2-yl-pyrazol-3-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone Openeye Name: (1-tert-butyl-5-isopropyl-pyrazol-3-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone CAS Name: (1-tert-butyl-5-propan-2-yl-3-pyrazolyl)-[4-(2-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (1-tert-butyl-5-propan-2-ylpyrazol-3-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (1-tert-butyl-5-isopropyl-pyrazol-3-yl)-[4-(2-nitrophenyl)piperazino]methanone Formula: C21H29N5O3 MolecularWeight: 399.48666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NN1C(C)(C)C)C(=O)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC(=NN1C(C)(C)C)C(=O)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H29N5O3/c1-15(2)19-14-16(22-25(19)21(3,4)5)20(27)24-12-10-23(11-13-24)17-8-6-7-9-18(17)26(28)29/h6-9,14-15H,10-13H2,1-5H3