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

Systemtic Name: azepan-1-yl-[1-[3-(4-methylphenyl)-1-(phenylmethyl)pyrazol-4-yl]carbonylpiperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-[1-benzyl-3-(p-tolyl)pyrazole-4-carbonyl]-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[[3-(4-methylphenyl)-1-(phenylmethyl)-4-pyrazolyl]-oxomethyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-[1-benzyl-3-(p-tolyl)pyrazole-4-carbonyl]-4-piperidyl]methanone Formula: C30H36N4O2 MolecularWeight: 484.63244

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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)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)N3CCC(CC3)C(=O)N4CCCCCC4)CC5=CC=CC=C5

InChI

InChI=1S/C30H36N4O2/c1-23-11-13-25(14-12-23)28-27(22-34(31-28)21-24-9-5-4-6-10-24)30(36)33-19-15-26(16-20-33)29(35)32-17-7-2-3-8-18-32/h4-6,9-14,22,26H,2-3,7-8,15-21H2,1H3