azepan-1-yl-[1-[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]carbonylpiperidin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]carbonylpiperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-[1-(4-fluorophenyl)-3-(p-tolyl)pyrazole-4-carbonyl]-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[[1-(4-fluorophenyl)-3-(4-methylphenyl)-4-pyrazolyl]-oxomethyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carbonyl]piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-[1-(4-fluorophenyl)-3-(p-tolyl)pyrazole-4-carbonyl]-4-piperidyl]methanone Formula: C29H33FN4O2 MolecularWeight: 488.596323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)N3CCC(CC3)C(=O)N4CCCCCC4)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)N3CCC(CC3)C(=O)N4CCCCCC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C29H33FN4O2/c1-21-6-8-22(9-7-21)27-26(20-34(31-27)25-12-10-24(30)11-13-25)29(36)33-18-14-23(15-19-33)28(35)32-16-4-2-3-5-17-32/h6-13,20,23H,2-5,14-19H2,1H3