N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-4-yl]-2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxamide

Systemtic Name: N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-4-yl]-2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxamide Openeye Name: N-[1-(2-anilino-2-oxo-ethyl)-4-piperidyl]-2-phenyl-5-(2-thienyl)pyrazole-3-carboxamide CAS Name: N-[1-(2-anilino-2-oxoethyl)-4-piperidinyl]-2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxamide IUPAC Name: N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-phenyl-5-thiophen-2-ylpyrazole-3-carboxamide Traditional Name: N-[1-(2-anilino-2-keto-ethyl)-4-piperidyl]-2-phenyl-5-(2-thienyl)pyrazole-3-carboxamide Formula: C27H27N5O2S MolecularWeight: 485.60058

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4)CC(=O)NC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1NC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4)CC(=O)NC5=CC=CC=C5

InChI

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