5-[(3S)-5-(6-bromanyl-2-methyl-4-phenyl-quinolin-3-yl)-3-(4-methoxyphenyl)-1,3-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[(3S)-5-(6-bromanyl-2-methyl-4-phenyl-quinolin-3-yl)-3-(4-methoxyphenyl)-1,3-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate Openeye Name: 5-[(3S)-5-(6-bromo-2-methyl-4-phenyl-3-quinolyl)-3-(4-methoxyphenyl)-1,3-dihydropyrazol-2-yl]-5-oxo-pentanoate CAS Name: 5-[(3S)-5-(6-bromo-2-methyl-4-phenyl-3-quinolinyl)-3-(4-methoxyphenyl)-1,3-dihydropyrazol-2-yl]-5-oxopentanoate IUPAC Name: 5-[(3S)-5-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-3-(4-methoxyphenyl)-1,3-dihydropyrazol-2-yl]-5-oxopentanoate Traditional Name: 5-[(5S)-3-(6-bromo-2-methyl-4-phenyl-3-quinolyl)-5-(4-methoxyphenyl)-3-pyrazolin-1-yl]-5-keto-valerate Formula: C31H27BrN3O4- MolecularWeight: 585.46778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C=C(C=CC2=N1)Br)C3=CC=CC=C3)C4=CC(N(N4)C(=O)CCCC(=O)[O-])C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=C(C(=C2C=C(C=CC2=N1)Br)C3=CC=CC=C3)C4=C[C@H](N(N4)C(=O)CCCC(=O)[O-])C5=CC=C(C=C5)OC

InChI

InChI=1S/C31H28BrN3O4/c1-19-30(31(21-7-4-3-5-8-21)24-17-22(32)13-16-25(24)33-19)26-18-27(20-11-14-23(39-2)15-12-20)35(34-26)28(36)9-6-10-29(37)38/h3-5,7-8,11-18,27,34H,6,9-10H2,1-2H3,(H,37,38)/p-1/t27-/m0/s1