N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-4-yl]-1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxamide

Systemtic Name: N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-4-yl]-1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxamide Openeye Name: N-[1-(2-anilino-2-oxo-ethyl)-4-piperidyl]-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide CAS Name: N-[1-(2-anilino-2-oxoethyl)-4-piperidinyl]-1-phenyl-3-thiophen-2-yl-4-pyrazolecarboxamide IUPAC Name: N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide Traditional Name: N-[1-(2-anilino-2-keto-ethyl)-4-piperidyl]-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide Formula: C27H27N5O2S MolecularWeight: 485.60058

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)CC(=O)NC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1NC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)CC(=O)NC5=CC=CC=C5

InChI

InChI=1S/C27H27N5O2S/c33-25(28-20-8-3-1-4-9-20)19-31-15-13-21(14-16-31)29-27(34)23-18-32(22-10-5-2-6-11-22)30-26(23)24-12-7-17-35-24/h1-12,17-18,21H,13-16,19H2,(H,28,33)(H,29,34)