N-[1-(cyanomethylamino)-3-methyl-1-oxidanylidene-pentan-2-yl]-4-(2-pyridin-4-ylethylamino)benzamide

Systemtic Name: N-[1-(cyanomethylamino)-3-methyl-1-oxidanylidene-pentan-2-yl]-4-(2-pyridin-4-ylethylamino)benzamide Openeye Name: N-[1-(cyanomethylcarbamoyl)-2-methyl-butyl]-4-[2-(4-pyridyl)ethylamino]benzamide CAS Name: N-[1-(cyanomethylamino)-3-methyl-1-oxopentan-2-yl]-4-(2-pyridin-4-ylethylamino)benzamide IUPAC Name: N-[1-(cyanomethylamino)-3-methyl-1-oxopentan-2-yl]-4-(2-pyridin-4-ylethylamino)benzamide Traditional Name: N-[1-(cyanomethylcarbamoyl)-2-methyl-butyl]-4-[2-(4-pyridyl)ethylamino]benzamide Formula: C22H27N5O2 MolecularWeight: 393.48208

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC#N)NC(=O)C1=CC=C(C=C1)NCCC2=CC=NC=C2

Isomeric SMILES

CCC(C)C(C(=O)NCC#N)NC(=O)C1=CC=C(C=C1)NCCC2=CC=NC=C2

InChI

InChI=1S/C22H27N5O2/c1-3-16(2)20(22(29)26-15-11-23)27-21(28)18-4-6-19(7-5-18)25-14-10-17-8-12-24-13-9-17/h4-9,12-13,16,20,25H,3,10,14-15H2,1-2H3,(H,26,29)(H,27,28)