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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=CC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NCCCN4CCOCC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=CC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NCCCN4CCOCC4)C

InChI

InChI=1S/C25H29N5O4/c1-18-4-9-23(19(2)16-18)29-24(25(31)26-10-3-11-28-12-14-34-15-13-28)17-22(27-29)20-5-7-21(8-6-20)30(32)33/h4-9,16-17H,3,10-15H2,1-2H3,(H,26,31)