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

Systemtic Name: azepan-1-yl-[1-[3-(2,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]carbonylpiperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-[3-(2,4-dimethylphenyl)-1-phenyl-pyrazole-4-carbonyl]-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[[3-(2,4-dimethylphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-[3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carbonyl]piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-[3-(2,4-dimethylphenyl)-1-phenyl-pyrazole-4-carbonyl]-4-piperidyl]methanone Formula: C30H36N4O2 MolecularWeight: 484.63244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H36N4O2/c1-22-12-13-26(23(2)20-22)28-27(21-34(31-28)25-10-6-5-7-11-25)30(36)33-18-14-24(15-19-33)29(35)32-16-8-3-4-9-17-32/h5-7,10-13,20-21,24H,3-4,8-9,14-19H2,1-2H3