N-(cyanomethyl)-4-methyl-2-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pentanamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[4-(3-pyridylmethylcarbamoylamino)phenyl]pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[4-[[oxo-(3-pyridinylmethylamino)methyl]amino]phenyl]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[4-(3-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=CN=CC=C2)C(=O)NCC#N

Isomeric SMILES

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

InChI

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