(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl chromane-3-carboxylate CAS Name: 3,4-dihydro-2H-1-benzopyran-3-carboxylic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: chroman-3-carboxylic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C22H19N3O3 MolecularWeight: 373.40456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC(=O)C2CC3=CC=CC=C3OC2)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)C2CC3=CC=CC=C3OC2)C4=CC=CC=C4

InChI

InChI=1S/C22H19N3O3/c1-15-19(12-23)20(25(24-15)18-8-3-2-4-9-18)14-28-22(26)17-11-16-7-5-6-10-21(16)27-13-17/h2-10,17H,11,13-14H2,1H3