(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-[4-(8-quinolylmethyl)piperazin-1-yl]methanone CAS Name: (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-[4-(8-quinolinylmethyl)-1-piperazinyl]methanone IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone Traditional Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-[4-(8-quinolylmethyl)piperazino]methanone Formula: C25H24ClN5O MolecularWeight: 445.94396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)N2CCN(CC2)CC3=CC=CC4=C3N=CC=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1C(=O)N2CCN(CC2)CC3=CC=CC4=C3N=CC=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C25H24ClN5O/c1-18-22(24(26)31(28-18)21-10-3-2-4-11-21)25(32)30-15-13-29(14-16-30)17-20-8-5-7-19-9-6-12-27-23(19)20/h2-12H,13-17H2,1H3