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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O2/c1-16(2)15-20(22(29)26-14-10-23)27-21(28)18-3-5-19(6-4-18)25-13-9-17-7-11-24-12-8-17/h3-8,11-12,16,20,25H,9,13-15H2,1-2H3,(H,26,29)(H,27,28)