ethyl (4S)-6-azanyl-4-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate

Systemtic Name: ethyl (4S)-6-azanyl-4-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate Openeye Name: ethyl (4S)-6-amino-4-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate CAS Name: (4S)-6-amino-4-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-amino-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate Traditional Name: (4S)-6-amino-4-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C20H19ClN4O3 MolecularWeight: 398.84286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=C(N(N=C2C)C3=CC=CC=C3)Cl)C#N)N)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C([C@@H]1C2=C(N(N=C2C)C3=CC=CC=C3)Cl)C#N)N)C

InChI

InChI=1S/C20H19ClN4O3/c1-4-27-20(26)16-12(3)28-19(23)14(10-22)17(16)15-11(2)24-25(18(15)21)13-8-6-5-7-9-13/h5-9,17H,4,23H2,1-3H3/t17-/m1/s1