N-[[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-propan-2-yl-amino]methyl]pyridine-3-carboxamide

Systemtic Name: N-[[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-propan-2-yl-amino]methyl]pyridine-3-carboxamide Openeye Name: N-[[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-isopropyl-amino]methyl]pyridine-3-carboxamide CAS Name: N-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-propan-2-ylamino]methyl]-3-pyridinecarboxamide IUPAC Name: N-[[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-propan-2-ylamino]methyl]pyridine-3-carboxamide Traditional Name: N-[[isopropyl-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]methyl]nicotinamide Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(CNC(=O)C3=CN=CC=C3)C(C)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(CNC(=O)C3=CN=CC=C3)C(C)C

InChI

InChI=1S/C21H25N5O2/c1-15(2)25(14-23-20(27)17-9-8-12-22-13-17)19-16(3)24(4)26(21(19)28)18-10-6-5-7-11-18/h5-13,15H,14H2,1-4H3,(H,23,27)