azepan-1-yl-[1-[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]carbonylpiperidin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]carbonylpiperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-[3-(2-methoxyphenyl)-1-phenyl-pyrazole-4-carbonyl]-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[[3-(2-methoxyphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-[3-(2-methoxyphenyl)-1-phenyl-pyrazole-4-carbonyl]-4-piperidyl]methanone Formula: C29H34N4O3 MolecularWeight: 486.60526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN(C=C2C(=O)N3CCC(CC3)C(=O)N4CCCCCC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1C2=NN(C=C2C(=O)N3CCC(CC3)C(=O)N4CCCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C29H34N4O3/c1-36-26-14-8-7-13-24(26)27-25(21-33(30-27)23-11-5-4-6-12-23)29(35)32-19-15-22(16-20-32)28(34)31-17-9-2-3-10-18-31/h4-8,11-14,21-22H,2-3,9-10,15-20H2,1H3