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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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