2-[4-[4-(7-chloranylquinolin-4-yl)piperazin-1-yl]sulfonylphenyl]-1,5-dimethyl-4-propan-2-yl-pyrazol-3-one

Systemtic Name: 2-[4-[4-(7-chloranylquinolin-4-yl)piperazin-1-yl]sulfonylphenyl]-1,5-dimethyl-4-propan-2-yl-pyrazol-3-one Openeye Name: 2-[4-[4-(7-chloro-4-quinolyl)piperazin-1-yl]sulfonylphenyl]-4-isopropyl-1,5-dimethyl-pyrazol-3-one CAS Name: 2-[4-[[4-(7-chloro-4-quinolinyl)-1-piperazinyl]sulfonyl]phenyl]-1,5-dimethyl-4-propan-2-yl-3-pyrazolone IUPAC Name: 2-[4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonylphenyl]-1,5-dimethyl-4-propan-2-ylpyrazol-3-one Traditional Name: 2-[4-[4-(7-chloro-4-quinolyl)piperazino]sulfonylphenyl]-4-isopropyl-1,5-dimethyl-3-pyrazolin-3-one Formula: C27H30ClN5O3S MolecularWeight: 540.0768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=C5C=CC(=CC5=NC=C4)Cl)C(C)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=C5C=CC(=CC5=NC=C4)Cl)C(C)C

InChI

InChI=1S/C27H30ClN5O3S/c1-18(2)26-19(3)30(4)33(27(26)34)21-6-8-22(9-7-21)37(35,36)32-15-13-31(14-16-32)25-11-12-29-24-17-20(28)5-10-23(24)25/h5-12,17-18H,13-16H2,1-4H3