6-chloranyl-3-[(3S)-3-(2-methoxyphenyl)-2-(2-pyrrolidin-1-ium-1-ylethanoyl)-1,3-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one

Systemtic Name: 6-chloranyl-3-[(3S)-3-(2-methoxyphenyl)-2-(2-pyrrolidin-1-ium-1-ylethanoyl)-1,3-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one Openeye Name: 6-chloro-3-[(3S)-3-(2-methoxyphenyl)-2-(2-pyrrolidin-1-ium-1-ylacetyl)-1,3-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one CAS Name: 6-chloro-3-[(3S)-3-(2-methoxyphenyl)-2-[1-oxo-2-(1-pyrrolidin-1-iumyl)ethyl]-1,3-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one IUPAC Name: 6-chloro-3-[(3S)-3-(2-methoxyphenyl)-2-(2-pyrrolidin-1-ium-1-ylacetyl)-1,3-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one Traditional Name: 6-chloro-3-[(5S)-5-(2-methoxyphenyl)-1-(2-pyrrolidin-1-ium-1-ylacetyl)-3-pyrazolin-3-yl]-4-phenyl-carbostyril Formula: C31H30ClN4O3+ MolecularWeight: 542.0479

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2C=C(NN2C(=O)C[NH+]3CCCC3)C4=C(C5=C(C=CC(=C5)Cl)NC4=O)C6=CC=CC=C6

Isomeric SMILES

COC1=CC=CC=C1[C@@H]2C=C(NN2C(=O)C[NH+]3CCCC3)C4=C(C5=C(C=CC(=C5)Cl)NC4=O)C6=CC=CC=C6

InChI

InChI=1S/C31H29ClN4O3/c1-39-27-12-6-5-11-22(27)26-18-25(34-36(26)28(37)19-35-15-7-8-16-35)30-29(20-9-3-2-4-10-20)23-17-21(32)13-14-24(23)33-31(30)38/h2-6,9-14,17-18,26,34H,7-8,15-16,19H2,1H3,(H,33,38)/p+1/t26-/m0/s1