2,4-bis(chloranyl)-N-[3-methyl-1-oxidanylidene-1-[(6-pyrazol-1-ylpyridin-3-yl)methylamino]butan-2-yl]benzamide

Systemtic Name: 2,4-bis(chloranyl)-N-[3-methyl-1-oxidanylidene-1-[(6-pyrazol-1-ylpyridin-3-yl)methylamino]butan-2-yl]benzamide Openeye Name: 2,4-dichloro-N-[2-methyl-1-[(6-pyrazol-1-yl-3-pyridyl)methylcarbamoyl]propyl]benzamide CAS Name: 2,4-dichloro-N-[3-methyl-1-oxo-1-[[6-(1-pyrazolyl)-3-pyridinyl]methylamino]butan-2-yl]benzamide IUPAC Name: 2,4-dichloro-N-[3-methyl-1-oxo-1-[(6-pyrazol-1-ylpyridin-3-yl)methylamino]butan-2-yl]benzamide Traditional Name: 2,4-dichloro-N-[2-methyl-1-[(6-pyrazol-1-yl-3-pyridyl)methylcarbamoyl]propyl]benzamide Formula: C21H21Cl2N5O2 MolecularWeight: 446.32974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CN=C(C=C1)N2C=CC=N2)NC(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C)C(C(=O)NCC1=CN=C(C=C1)N2C=CC=N2)NC(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H21Cl2N5O2/c1-13(2)19(27-20(29)16-6-5-15(22)10-17(16)23)21(30)25-12-14-4-7-18(24-11-14)28-9-3-8-26-28/h3-11,13,19H,12H2,1-2H3,(H,25,30)(H,27,29)