N-[2-(4-methylpiperazin-1-yl)ethyl]-1-(4-nitrophenyl)-5-piperidin-4-yl-pyrazole-4-carboxamide

Systemtic Name: N-[2-(4-methylpiperazin-1-yl)ethyl]-1-(4-nitrophenyl)-5-piperidin-4-yl-pyrazole-4-carboxamide Openeye Name: N-[2-(4-methylpiperazin-1-yl)ethyl]-1-(4-nitrophenyl)-5-(4-piperidyl)pyrazole-4-carboxamide CAS Name: N-[2-(4-methyl-1-piperazinyl)ethyl]-1-(4-nitrophenyl)-5-(4-piperidinyl)-4-pyrazolecarboxamide IUPAC Name: N-[2-(4-methylpiperazin-1-yl)ethyl]-1-(4-nitrophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide Traditional Name: N-[2-(4-methylpiperazino)ethyl]-1-(4-nitrophenyl)-5-(4-piperidyl)pyrazole-4-carboxamide Formula: C22H31N7O3 MolecularWeight: 441.52664

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCNC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)[N+](=O)[O-])C4CCNCC4

Isomeric SMILES

CN1CCN(CC1)CCNC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)[N+](=O)[O-])C4CCNCC4

InChI

InChI=1S/C22H31N7O3/c1-26-12-14-27(15-13-26)11-10-24-22(30)20-16-25-28(21(20)17-6-8-23-9-7-17)18-2-4-19(5-3-18)29(31)32/h2-5,16-17,23H,6-15H2,1H3,(H,24,30)