N-[1-[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]carbonylpiperidin-4-yl]-2-fluoranyl-benzamide

Systemtic Name: N-[1-[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]carbonylpiperidin-4-yl]-2-fluoranyl-benzamide Openeye Name: N-[1-[3-(3,4-dimethylphenyl)-1-phenyl-pyrazole-4-carbonyl]-4-piperidyl]-2-fluoro-benzamide CAS Name: N-[1-[[3-(3,4-dimethylphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]-4-piperidinyl]-2-fluorobenzamide IUPAC Name: N-[1-[3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carbonyl]piperidin-4-yl]-2-fluorobenzamide Traditional Name: N-[1-[3-(3,4-dimethylphenyl)-1-phenyl-pyrazole-4-carbonyl]-4-piperidyl]-2-fluoro-benzamide Formula: C30H29FN4O2 MolecularWeight: 496.575263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)N3CCC(CC3)NC(=O)C4=CC=CC=C4F)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)N3CCC(CC3)NC(=O)C4=CC=CC=C4F)C5=CC=CC=C5)C

InChI

InChI=1S/C30H29FN4O2/c1-20-12-13-22(18-21(20)2)28-26(19-35(33-28)24-8-4-3-5-9-24)30(37)34-16-14-23(15-17-34)32-29(36)25-10-6-7-11-27(25)31/h3-13,18-19,23H,14-17H2,1-2H3,(H,32,36)