N-[5-(diethylamino)pentan-2-yl]-2-(4-nitrophenyl)-5-phenyl-pyrazole-3-carboxamide

Systemtic Name: N-[5-(diethylamino)pentan-2-yl]-2-(4-nitrophenyl)-5-phenyl-pyrazole-3-carboxamide Openeye Name: N-[4-(diethylamino)-1-methyl-butyl]-2-(4-nitrophenyl)-5-phenyl-pyrazole-3-carboxamide CAS Name: N-[5-(diethylamino)pentan-2-yl]-2-(4-nitrophenyl)-5-phenyl-3-pyrazolecarboxamide IUPAC Name: N-[5-(diethylamino)pentan-2-yl]-2-(4-nitrophenyl)-5-phenylpyrazole-3-carboxamide Traditional Name: N-[4-(diethylamino)-1-methyl-butyl]-2-(4-nitrophenyl)-5-phenyl-pyrazole-3-carboxamide Formula: C25H31N5O3 MolecularWeight: 449.54534

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC(C)NC(=O)C1=CC(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCN(CC)CCCC(C)NC(=O)C1=CC(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C25H31N5O3/c1-4-28(5-2)17-9-10-19(3)26-25(31)24-18-23(20-11-7-6-8-12-20)27-29(24)21-13-15-22(16-14-21)30(32)33/h6-8,11-16,18-19H,4-5,9-10,17H2,1-3H3,(H,26,31)