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

Systemtic Name: ethyl 6-azanyl-4-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-5-cyano-2-propyl-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-4-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-5-cyano-2-propyl-4H-pyran-3-carboxylate CAS Name: 6-amino-4-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-5-cyano-2-propyl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-5-cyano-2-propyl-4H-pyran-3-carboxylate Traditional Name: 6-amino-4-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-5-cyano-2-propyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C22H23ClN4O3 MolecularWeight: 426.89602

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(C(=C(O1)N)C#N)C2=C(N(N=C2C)C3=CC=CC=C3)Cl)C(=O)OCC

Isomeric SMILES

CCCC1=C(C(C(=C(O1)N)C#N)C2=C(N(N=C2C)C3=CC=CC=C3)Cl)C(=O)OCC

InChI

InChI=1S/C22H23ClN4O3/c1-4-9-16-19(22(28)29-5-2)18(15(12-24)21(25)30-16)17-13(3)26-27(20(17)23)14-10-7-6-8-11-14/h6-8,10-11,18H,4-5,9,25H2,1-3H3