[1-(4-nitrophenyl)-5-piperidin-4-yl-pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [1-(4-nitrophenyl)-5-piperidin-4-yl-pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [1-(4-nitrophenyl)-5-(4-piperidyl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [1-(4-nitrophenyl)-5-(4-piperidinyl)-4-pyrazolyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [1-(4-nitrophenyl)-5-piperidin-4-ylpyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [1-(4-nitrophenyl)-5-(4-piperidyl)pyrazol-4-yl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C23H26N8O3 MolecularWeight: 462.50434

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2=C(C=NN2C3=CC=C(C=C3)[N+](=O)[O-])C(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

C1CNCCC1C2=C(C=NN2C3=CC=C(C=C3)[N+](=O)[O-])C(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C23H26N8O3/c32-22(28-12-14-29(15-13-28)23-25-8-1-9-26-23)20-16-27-30(21(20)17-6-10-24-11-7-17)18-2-4-19(5-3-18)31(33)34/h1-5,8-9,16-17,24H,6-7,10-15H2