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

Systemtic Name: N-[3-(morpholin-4-ylmethyl)phenyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-[3-(morpholinomethyl)phenyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-[3-(4-morpholinylmethyl)phenyl]-1-[(2-nitrophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[3-(morpholin-4-ylmethyl)phenyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-[3-(morpholinomethyl)phenyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Formula: C22H23N5O5 MolecularWeight: 437.44852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O5/c28-22(23-18-5-3-4-17(14-18)15-25-10-12-31-13-11-25)19-8-9-26(24-19)16-32-21-7-2-1-6-20(21)27(29)30/h1-9,14H,10-13,15-16H2,(H,23,28)