N-(cyanomethyl)-4-methyl-2-[4-(pyridin-4-ylmethylcarbamoylamino)phenyl]pentanamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[4-(pyridin-4-ylmethylcarbamoylamino)phenyl]pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[4-(4-pyridylmethylcarbamoylamino)phenyl]pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[4-[[oxo-(pyridin-4-ylmethylamino)methyl]amino]phenyl]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[4-(pyridin-4-ylmethylcarbamoylamino)phenyl]pentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[4-(4-pyridylmethylcarbamoylamino)phenyl]valeramide Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=C(C=C1)NC(=O)NCC2=CC=NC=C2)C(=O)NCC#N

Isomeric SMILES

CC(C)CC(C1=CC=C(C=C1)NC(=O)NCC2=CC=NC=C2)C(=O)NCC#N

InChI

InChI=1S/C21H25N5O2/c1-15(2)13-19(20(27)24-12-9-22)17-3-5-18(6-4-17)26-21(28)25-14-16-7-10-23-11-8-16/h3-8,10-11,15,19H,12-14H2,1-2H3,(H,24,27)(H2,25,26,28)