methyl 4-[1-[(4-bromophenyl)methyl]-3-phenyl-pyrazol-4-yl]-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: methyl 4-[1-[(4-bromophenyl)methyl]-3-phenyl-pyrazol-4-yl]-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: methyl 4-[1-[(4-bromophenyl)methyl]-3-phenyl-pyrazol-4-yl]-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-[1-[(4-bromophenyl)methyl]-3-phenyl-4-pyrazolyl]-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 4-[1-[(4-bromophenyl)methyl]-3-phenylpyrazol-4-yl]-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-[1-(4-bromobenzyl)-3-phenyl-pyrazol-4-yl]-5-keto-2-methyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester Formula: C28H26BrN3O3 MolecularWeight: 532.42834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CCC=C2N1)C3=CN(N=C3C4=CC=CC=C4)CC5=CC=C(C=C5)Br)C(=O)OC

Isomeric SMILES

CC1=C(C(C2C(=O)CCC=C2N1)C3=CN(N=C3C4=CC=CC=C4)CC5=CC=C(C=C5)Br)C(=O)OC

InChI

InChI=1S/C28H26BrN3O3/c1-17-24(28(34)35-2)25(26-22(30-17)9-6-10-23(26)33)21-16-32(15-18-11-13-20(29)14-12-18)31-27(21)19-7-4-3-5-8-19/h3-5,7-9,11-14,16,25-26,30H,6,10,15H2,1-2H3