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

Systemtic Name: 1-[(2-chloranyl-4-nitro-phenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-3-carboxamide Openeye Name: 1-[(2-chloro-4-nitro-phenoxy)methyl]-N-[3-(morpholinomethyl)phenyl]pyrazole-3-carboxamide CAS Name: 1-[(2-chloro-4-nitrophenoxy)methyl]-N-[3-(4-morpholinylmethyl)phenyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(2-chloro-4-nitrophenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-3-carboxamide Traditional Name: 1-[(2-chloro-4-nitro-phenoxy)methyl]-N-[3-(morpholinomethyl)phenyl]pyrazole-3-carboxamide Formula: C22H22ClN5O5 MolecularWeight: 471.89358

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CC(=CC=C2)NC(=O)C3=NN(C=C3)COC4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1COCCN1CC2=CC(=CC=C2)NC(=O)C3=NN(C=C3)COC4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H22ClN5O5/c23-19-13-18(28(30)31)4-5-21(19)33-15-27-7-6-20(25-27)22(29)24-17-3-1-2-16(12-17)14-26-8-10-32-11-9-26/h1-7,12-13H,8-11,14-15H2,(H,24,29)