1-[(2-chloranyl-4-nitro-phenoxy)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide

Systemtic Name: 1-[(2-chloranyl-4-nitro-phenoxy)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide Openeye Name: 1-[(2-chloro-4-nitro-phenoxy)methyl]-N-(3-morpholinopropyl)pyrazole-3-carboxamide CAS Name: 1-[(2-chloro-4-nitrophenoxy)methyl]-N-[3-(4-morpholinyl)propyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(2-chloro-4-nitrophenoxy)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide Traditional Name: 1-[(2-chloro-4-nitro-phenoxy)methyl]-N-(3-morpholinopropyl)pyrazole-3-carboxamide Formula: C18H22ClN5O5 MolecularWeight: 423.85078

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1COCCN1CCCNC(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H22ClN5O5/c19-15-12-14(24(26)27)2-3-17(15)29-13-23-7-4-16(21-23)18(25)20-5-1-6-22-8-10-28-11-9-22/h2-4,7,12H,1,5-6,8-11,13H2,(H,20,25)