N-(cyanomethyl)-4-methyl-2-(4-phenylbutanoylamino)pentanamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-(4-phenylbutanoylamino)pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-(4-phenylbutanoylamino)pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[(1-oxo-4-phenylbutyl)amino]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-(4-phenylbutanoylamino)pentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-(4-phenylbutanoylamino)valeramide Formula: C18H25N3O2 MolecularWeight: 315.41

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC(=O)CCCC1=CC=CC=C1

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)NC(=O)CCCC1=CC=CC=C1

InChI

InChI=1S/C18H25N3O2/c1-14(2)13-16(18(23)20-12-11-19)21-17(22)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,14,16H,6,9-10,12-13H2,1-2H3,(H,20,23)(H,21,22)