phenyl-[1-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]carbonylpiperidin-4-yl]methanone

Systemtic Name: phenyl-[1-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]carbonylpiperidin-4-yl]methanone Openeye Name: [1-[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]-4-piperidyl]-phenyl-methanone CAS Name: [1-[oxo-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]methyl]-4-piperidinyl]-phenylmethanone IUPAC Name: [1-(1-benzyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidin-4-yl]-phenylmethanone Traditional Name: [1-[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]-4-piperidyl]-phenyl-methanone Formula: C27H25N3O2S MolecularWeight: 455.5713

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)C2=CC=CC=C2)C(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)C2=CC=CC=C2)C(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C27H25N3O2S/c31-26(21-10-5-2-6-11-21)22-13-15-29(16-14-22)27(32)23-19-30(18-20-8-3-1-4-9-20)28-25(23)24-12-7-17-33-24/h1-12,17,19,22H,13-16,18H2