(2S)-N-(2-cyanophenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]propanamide

Systemtic Name: (2S)-N-(2-cyanophenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]propanamide Openeye Name: (2S)-N-(2-cyanophenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]propanamide CAS Name: (2S)-N-(2-cyanophenyl)-2-[methyl-[(1-phenyl-4-pyrazolyl)methyl]amino]propanamide IUPAC Name: (2S)-N-(2-cyanophenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]propanamide Traditional Name: (2S)-N-(2-cyanophenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]propionamide Formula: C21H21N5O MolecularWeight: 359.42434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)N(C)CC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1C#N)N(C)CC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H21N5O/c1-16(21(27)24-20-11-7-6-8-18(20)12-22)25(2)14-17-13-23-26(15-17)19-9-4-3-5-10-19/h3-11,13,15-16H,14H2,1-2H3,(H,24,27)/t16-/m0/s1