azepan-1-yl-[1-[3-(5-methylfuran-2-yl)-1-phenyl-pyrazol-4-yl]carbonylpiperidin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[3-(5-methylfuran-2-yl)-1-phenyl-pyrazol-4-yl]carbonylpiperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-[3-(5-methyl-2-furyl)-1-phenyl-pyrazole-4-carbonyl]-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[[3-(5-methyl-2-furanyl)-1-phenyl-4-pyrazolyl]-oxomethyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-[3-(5-methyl-2-furyl)-1-phenyl-pyrazole-4-carbonyl]-4-piperidyl]methanone Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NN(C=C2C(=O)N3CCC(CC3)C(=O)N4CCCCCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(O1)C2=NN(C=C2C(=O)N3CCC(CC3)C(=O)N4CCCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C27H32N4O3/c1-20-11-12-24(34-20)25-23(19-31(28-25)22-9-5-4-6-10-22)27(33)30-17-13-21(14-18-30)26(32)29-15-7-2-3-8-16-29/h4-6,9-12,19,21H,2-3,7-8,13-18H2,1H3