N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide

Systemtic Name: N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide Openeye Name: N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide CAS Name: N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(4-nitrophenyl)-4-pyrazolecarboxamide IUPAC Name: N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide Traditional Name: N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1=CN(N=C1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=CC=C3)OC

Isomeric SMILES

CN(C)C(CNC(=O)C1=CN(N=C1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=CC=C3)OC

InChI

InChI=1S/C21H23N5O4/c1-24(2)20(15-5-4-6-19(11-15)30-3)13-22-21(27)16-12-23-25(14-16)17-7-9-18(10-8-17)26(28)29/h4-12,14,20H,13H2,1-3H3,(H,22,27)