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

Systemtic Name: ethyl (4S)-6-azanyl-4-[5-chloranyl-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-5-cyano-2-methyl-4H-pyran-3-carboxylate Openeye Name: ethyl (4S)-6-amino-4-[5-chloro-3-methyl-1-(p-tolyl)pyrazol-4-yl]-5-cyano-2-methyl-4H-pyran-3-carboxylate CAS Name: (4S)-6-amino-4-[5-chloro-3-methyl-1-(4-methylphenyl)-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-(4-methylphenyl)pyrazol-4-yl]-5-cyano-2-methyl-4H-pyran-3-carboxylate Traditional Name: (4S)-6-amino-4-[5-chloro-3-methyl-1-(p-tolyl)pyrazol-4-yl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C21H21ClN4O3 MolecularWeight: 412.86944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O3/c1-5-28-21(27)17-13(4)29-20(24)15(10-23)18(17)16-12(3)25-26(19(16)22)14-8-6-11(2)7-9-14/h6-9,18H,5,24H2,1-4H3/t18-/m1/s1