methyl 4-(1,3-diphenylpyrazol-4-yl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: methyl 4-(1,3-diphenylpyrazol-4-yl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: methyl 4-(1,3-diphenylpyrazol-4-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: 4-(1,3-diphenyl-4-pyrazolyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(1,3-diphenylpyrazol-4-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: 4-(1,3-diphenylpyrazol-4-yl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester Formula: C29H29N3O3 MolecularWeight: 467.55886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OC

Isomeric SMILES

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OC

InChI

InChI=1S/C29H29N3O3/c1-18-24(28(34)35-4)25(26-22(30-18)15-29(2,3)16-23(26)33)21-17-32(20-13-9-6-10-14-20)31-27(21)19-11-7-5-8-12-19/h5-14,17,25,30H,15-16H2,1-4H3