6-bromanyl-3-[(3S)-3-(3-nitrophenyl)-2-propanoyl-1,3-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one

Systemtic Name: 6-bromanyl-3-[(3S)-3-(3-nitrophenyl)-2-propanoyl-1,3-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one Openeye Name: 6-bromo-3-[(3S)-3-(3-nitrophenyl)-2-propanoyl-1,3-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one CAS Name: 6-bromo-3-[(3S)-3-(3-nitrophenyl)-2-(1-oxopropyl)-1,3-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one IUPAC Name: 6-bromo-3-[(3S)-3-(3-nitrophenyl)-2-propanoyl-1,3-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one Traditional Name: 6-bromo-3-[(5S)-5-(3-nitrophenyl)-1-propionyl-3-pyrazolin-3-yl]-4-phenyl-carbostyril Formula: C27H21BrN4O4 MolecularWeight: 545.38404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(C=C(N1)C2=C(C3=C(C=CC(=C3)Br)NC2=O)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)N1[C@@H](C=C(N1)C2=C(C3=C(C=CC(=C3)Br)NC2=O)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H21BrN4O4/c1-2-24(33)31-23(17-9-6-10-19(13-17)32(35)36)15-22(30-31)26-25(16-7-4-3-5-8-16)20-14-18(28)11-12-21(20)29-27(26)34/h3-15,23,30H,2H2,1H3,(H,29,34)/t23-/m0/s1