N-[[1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazol-4-yl]methyl]-N-(phenylmethyl)ethanamide

Systemtic Name: N-[[1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazol-4-yl]methyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-N-[[1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazol-4-yl]methyl]acetamide CAS Name: N-[[1-(2-cyanoethyl)-3-(3-nitrophenyl)-4-pyrazolyl]methyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-[[1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazol-4-yl]methyl]acetamide Traditional Name: N-benzyl-N-[[1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazol-4-yl]methyl]acetamide Formula: C22H21N5O3 MolecularWeight: 403.43384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CC1=CC=CC=C1)CC2=CN(N=C2C3=CC(=CC=C3)[N+](=O)[O-])CCC#N

Isomeric SMILES

CC(=O)N(CC1=CC=CC=C1)CC2=CN(N=C2C3=CC(=CC=C3)[N+](=O)[O-])CCC#N

InChI

InChI=1S/C22H21N5O3/c1-17(28)25(14-18-7-3-2-4-8-18)15-20-16-26(12-6-11-23)24-22(20)19-9-5-10-21(13-19)27(29)30/h2-5,7-10,13,16H,6,12,14-15H2,1H3