N-(3-morpholin-4-ylpropyl)-2-(3-nitrophenyl)-5-thiophen-2-yl-pyrazole-3-carboxamide

Systemtic Name: N-(3-morpholin-4-ylpropyl)-2-(3-nitrophenyl)-5-thiophen-2-yl-pyrazole-3-carboxamide Openeye Name: N-(3-morpholinopropyl)-2-(3-nitrophenyl)-5-(2-thienyl)pyrazole-3-carboxamide CAS Name: N-[3-(4-morpholinyl)propyl]-2-(3-nitrophenyl)-5-thiophen-2-yl-3-pyrazolecarboxamide IUPAC Name: N-(3-morpholin-4-ylpropyl)-2-(3-nitrophenyl)-5-thiophen-2-ylpyrazole-3-carboxamide Traditional Name: N-(3-morpholinopropyl)-2-(3-nitrophenyl)-5-(2-thienyl)pyrazole-3-carboxamide Formula: C21H23N5O4S MolecularWeight: 441.50342

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC(=O)C2=CC(=NN2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

C1COCCN1CCCNC(=O)C2=CC(=NN2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C21H23N5O4S/c27-21(22-7-3-8-24-9-11-30-12-10-24)19-15-18(20-6-2-13-31-20)23-25(19)16-4-1-5-17(14-16)26(28)29/h1-2,4-6,13-15H,3,7-12H2,(H,22,27)