furan-3-yl-[(3S)-3-[4-(phenylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone

Systemtic Name: furan-3-yl-[(3S)-3-[4-(phenylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone Openeye Name: [(3S)-3-(4-benzyl-1H-pyrazol-5-yl)-1-piperidyl]-(3-furyl)methanone CAS Name: 3-furanyl-[(3S)-3-[4-(phenylmethyl)-1H-pyrazol-5-yl]-1-piperidinyl]methanone IUPAC Name: [(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(furan-3-yl)methanone Traditional Name: [(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidino]-(3-furyl)methanone Formula: C20H21N3O2 MolecularWeight: 335.39964

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=COC=C2)C3=C(C=NN3)CC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=COC=C2)C3=C(C=NN3)CC4=CC=CC=C4

InChI

InChI=1S/C20H21N3O2/c24-20(17-8-10-25-14-17)23-9-4-7-16(13-23)19-18(12-21-22-19)11-15-5-2-1-3-6-15/h1-3,5-6,8,10,12,14,16H,4,7,9,11,13H2,(H,21,22)/t16-/m0/s1