1-(3-nitrophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrazole-3-carboxamide

Systemtic Name: 1-(3-nitrophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrazole-3-carboxamide Openeye Name: 1-(3-nitrophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrazole-3-carboxamide CAS Name: 1-(3-nitrophenyl)-N-[2-(4-phenyl-1-piperazinyl)ethyl]-3-pyrazolecarboxamide IUPAC Name: 1-(3-nitrophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrazole-3-carboxamide Traditional Name: 1-(3-nitrophenyl)-N-[2-(4-phenylpiperazino)ethyl]pyrazole-3-carboxamide Formula: C22H24N6O3 MolecularWeight: 420.46436

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC(=O)C2=NN(C=C2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCNC(=O)C2=NN(C=C2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H24N6O3/c29-22(21-9-11-27(24-21)19-7-4-8-20(17-19)28(30)31)23-10-12-25-13-15-26(16-14-25)18-5-2-1-3-6-18/h1-9,11,17H,10,12-16H2,(H,23,29)