5-(3,4-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)-2-(3-nitrophenyl)pyrazole-3-carboxamide

Systemtic Name: 5-(3,4-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)-2-(3-nitrophenyl)pyrazole-3-carboxamide Openeye Name: 5-(3,4-dimethylphenyl)-N-(3-morpholinopropyl)-2-(3-nitrophenyl)pyrazole-3-carboxamide CAS Name: 5-(3,4-dimethylphenyl)-N-[3-(4-morpholinyl)propyl]-2-(3-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: 5-(3,4-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)-2-(3-nitrophenyl)pyrazole-3-carboxamide Traditional Name: 5-(3,4-dimethylphenyl)-N-(3-morpholinopropyl)-2-(3-nitrophenyl)pyrazole-3-carboxamide Formula: C25H29N5O4 MolecularWeight: 463.52886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=C2)C(=O)NCCCN3CCOCC3)C4=CC(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=C2)C(=O)NCCCN3CCOCC3)C4=CC(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C25H29N5O4/c1-18-7-8-20(15-19(18)2)23-17-24(25(31)26-9-4-10-28-11-13-34-14-12-28)29(27-23)21-5-3-6-22(16-21)30(32)33/h3,5-8,15-17H,4,9-14H2,1-2H3,(H,26,31)