(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 3-(aminocarbonylamino)-3-phenyl-propanoate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 3-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 3-phenyl-3-ureido-propanoate CAS Name: 3-(carbamoylamino)-3-phenylpropanoic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 3-(carbamoylamino)-3-phenylpropanoate Traditional Name: 3-phenyl-3-ureido-propionic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C22H21N5O3 MolecularWeight: 403.43384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC(=O)CC(C2=CC=CC=C2)NC(=O)N)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)CC(C2=CC=CC=C2)NC(=O)N)C3=CC=CC=C3

InChI

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