methyl 4-[1-[(2,4-dichlorophenyl)methyl]-3-phenyl-pyrazol-4-yl]-2-methylidene-5-oxidanylidene-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate

Systemtic Name: methyl 4-[1-[(2,4-dichlorophenyl)methyl]-3-phenyl-pyrazol-4-yl]-2-methylidene-5-oxidanylidene-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Openeye Name: methyl 4-[1-[(2,4-dichlorophenyl)methyl]-3-phenyl-pyrazol-4-yl]-2-methylene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate CAS Name: 4-[1-[(2,4-dichlorophenyl)methyl]-3-phenyl-4-pyrazolyl]-2-methylene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 4-[1-[(2,4-dichlorophenyl)methyl]-3-phenylpyrazol-4-yl]-2-methylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Traditional Name: 4-[1-(2,4-dichlorobenzyl)-3-phenyl-pyrazol-4-yl]-5-keto-2-methylene-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid methyl ester Formula: C28H25Cl2N3O3 MolecularWeight: 522.4224

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C2=C(CCCC2=O)NC1=C)C3=CN(N=C3C4=CC=CC=C4)CC5=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

COC(=O)C1C(C2=C(CCCC2=O)NC1=C)C3=CN(N=C3C4=CC=CC=C4)CC5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C28H25Cl2N3O3/c1-16-24(28(35)36-2)25(26-22(31-16)9-6-10-23(26)34)20-15-33(14-18-11-12-19(29)13-21(18)30)32-27(20)17-7-4-3-5-8-17/h3-5,7-8,11-13,15,24-25,31H,1,6,9-10,14H2,2H3