ethyl (4R)-4-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate

Systemtic Name: ethyl (4R)-4-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: ethyl (4R)-4-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4R)-4-(1-ethyl-3,5-dimethyl-4-pyrazolyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4R)-4-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)-5-keto-2-methyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid ethyl ester Formula: C20H27N3O3 MolecularWeight: 357.44668

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)C2C3C(=NC(=C2C(=O)OCC)C)CCCC3=O)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)[C@H]2C3C(=NC(=C2C(=O)OCC)C)CCCC3=O)C

InChI

InChI=1S/C20H27N3O3/c1-6-23-13(5)16(12(4)22-23)19-17(20(25)26-7-2)11(3)21-14-9-8-10-15(24)18(14)19/h18-19H,6-10H2,1-5H3/t18?,19-/m1/s1