methyl (4S)-2,7,7-trimethyl-5-oxidanylidene-4-(5-phenyl-1H-pyrazol-4-yl)-3,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: methyl (4S)-2,7,7-trimethyl-5-oxidanylidene-4-(5-phenyl-1H-pyrazol-4-yl)-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: methyl (4S)-2,7,7-trimethyl-5-oxo-4-(5-phenyl-1H-pyrazol-4-yl)-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-2,7,7-trimethyl-5-oxo-4-(5-phenyl-1H-pyrazol-4-yl)-3,4,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-2,7,7-trimethyl-5-oxo-4-(5-phenyl-1H-pyrazol-4-yl)-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-5-keto-2,7,7-trimethyl-4-(5-phenyl-1H-pyrazol-4-yl)-3,4,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OC)C3=C(NN=C3)C4=CC=CC=C4)C(=O)CC(C2)(C)C

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OC)C3=C(NN=C3)C4=CC=CC=C4)C(=O)CC(C2)(C)C

InChI

InChI=1S/C23H25N3O3/c1-13-18(22(28)29-4)19(20-16(25-13)10-23(2,3)11-17(20)27)15-12-24-26-21(15)14-8-6-5-7-9-14/h5-9,12,18-19H,10-11H2,1-4H3,(H,24,26)/t18?,19-/m1/s1