4-butyl-N1-(cyanomethyl)-5-methyl-6-(2-pyridin-3-ylethanoylamino)benzene-1,3-dicarboxamide

Systemtic Name: 4-butyl-N1-(cyanomethyl)-5-methyl-6-(2-pyridin-3-ylethanoylamino)benzene-1,3-dicarboxamide Openeye Name: 4-butyl-N1-(cyanomethyl)-5-methyl-6-[[2-(3-pyridyl)acetyl]amino]benzene-1,3-dicarboxamide CAS Name: 4-butyl-N1-(cyanomethyl)-5-methyl-6-[[1-oxo-2-(3-pyridinyl)ethyl]amino]benzene-1,3-dicarboxamide IUPAC Name: 4-butyl-1-N-(cyanomethyl)-5-methyl-6-[(2-pyridin-3-ylacetyl)amino]benzene-1,3-dicarboxamide Traditional Name: 4-butyl-N-(cyanomethyl)-5-methyl-6-[[2-(3-pyridyl)acetyl]amino]isophthalamide Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C=C1C(=O)N)C(=O)NCC#N)NC(=O)CC2=CN=CC=C2)C

Isomeric SMILES

CCCCC1=C(C(=C(C=C1C(=O)N)C(=O)NCC#N)NC(=O)CC2=CN=CC=C2)C

InChI

InChI=1S/C22H25N5O3/c1-3-4-7-16-14(2)20(27-19(28)11-15-6-5-9-25-13-15)18(12-17(16)21(24)29)22(30)26-10-8-23/h5-6,9,12-13H,3-4,7,10-11H2,1-2H3,(H2,24,29)(H,26,30)(H,27,28)