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

Systemtic Name: 1-[(2-chloranyl-4-nitro-phenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-3-carboxamide Openeye Name: 1-[(2-chloro-4-nitro-phenoxy)methyl]-N-[4-(1-piperidylmethyl)phenyl]pyrazole-3-carboxamide CAS Name: 1-[(2-chloro-4-nitrophenoxy)methyl]-N-[4-(1-piperidinylmethyl)phenyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(2-chloro-4-nitrophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-3-carboxamide Traditional Name: 1-[(2-chloro-4-nitro-phenoxy)methyl]-N-[4-(piperidinomethyl)phenyl]pyrazole-3-carboxamide Formula: C23H24ClN5O4 MolecularWeight: 469.92076

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=NN(C=C3)COC4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=NN(C=C3)COC4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C23H24ClN5O4/c24-20-14-19(29(31)32)8-9-22(20)33-16-28-13-10-21(26-28)23(30)25-18-6-4-17(5-7-18)15-27-11-2-1-3-12-27/h4-10,13-14H,1-3,11-12,15-16H2,(H,25,30)