N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide

Systemtic Name: N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide Openeye Name: N-[[4-(morpholinomethyl)phenyl]methyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide CAS Name: N-[[4-(4-morpholinylmethyl)phenyl]methyl]-1-(4-nitrophenyl)-4-pyrazolecarboxamide IUPAC Name: N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide Traditional Name: N-[4-(morpholinomethyl)benzyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CC=C(C=C2)CNC(=O)C3=CN(N=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CC2=CC=C(C=C2)CNC(=O)C3=CN(N=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O4/c28-22(19-14-24-26(16-19)20-5-7-21(8-6-20)27(29)30)23-13-17-1-3-18(4-2-17)15-25-9-11-31-12-10-25/h1-8,14,16H,9-13,15H2,(H,23,28)