(2S)-3-methyl-2-(2-phenylethanoylamino)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]butanamide

Systemtic Name: (2S)-3-methyl-2-(2-phenylethanoylamino)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]butanamide Openeye Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]butanamide CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenylethyl)amino]-N-[2-[4-(1-pyrazolyl)phenyl]ethyl]butanamide IUPAC Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]butanamide Traditional Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]butyramide Formula: C24H28N4O2 MolecularWeight: 404.50472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCC1=CC=C(C=C1)N2C=CC=N2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)NCCC1=CC=C(C=C1)N2C=CC=N2)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C24H28N4O2/c1-18(2)23(27-22(29)17-20-7-4-3-5-8-20)24(30)25-15-13-19-9-11-21(12-10-19)28-16-6-14-26-28/h3-12,14,16,18,23H,13,15,17H2,1-2H3,(H,25,30)(H,27,29)/t23-/m0/s1