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

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 4-benzamidobutanoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 4-benzamidobutanoate CAS Name: 4-benzamidobutanoic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 4-benzamidobutanoate Traditional Name: 4-benzamidobutyric acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C23H22N4O3 MolecularWeight: 402.44578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4O3/c1-17-20(15-24)21(27(26-17)19-11-6-3-7-12-19)16-30-22(28)13-8-14-25-23(29)18-9-4-2-5-10-18/h2-7,9-12H,8,13-14,16H2,1H3,(H,25,29)