1-(3-nitrophenyl)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]pyrazole-3-carboxamide

Systemtic Name: 1-(3-nitrophenyl)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]pyrazole-3-carboxamide Openeye Name: 1-(3-nitrophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]pyrazole-3-carboxamide CAS Name: 1-(3-nitrophenyl)-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-3-pyrazolecarboxamide IUPAC Name: 1-(3-nitrophenyl)-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]pyrazole-3-carboxamide Traditional Name: N-[6-(3-ketopiperazino)-3-pyridyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide Formula: C19H17N7O4 MolecularWeight: 407.38278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)C3=NN(C=C3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)C3=NN(C=C3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H17N7O4/c27-18-12-24(9-7-20-18)17-5-4-13(11-21-17)22-19(28)16-6-8-25(23-16)14-2-1-3-15(10-14)26(29)30/h1-6,8,10-11H,7,9,12H2,(H,20,27)(H,22,28)