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

Systemtic Name: N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-4-yl]-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxamide Openeye Name: N-[1-(2-anilino-2-oxo-ethyl)-4-piperidyl]-1-benzyl-3-(2-thienyl)pyrazole-4-carboxamide CAS Name: N-[1-(2-anilino-2-oxoethyl)-4-piperidinyl]-1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolecarboxamide IUPAC Name: N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide Traditional Name: N-[1-(2-anilino-2-keto-ethyl)-4-piperidyl]-1-benzyl-3-(2-thienyl)pyrazole-4-carboxamide Formula: C28H29N5O2S MolecularWeight: 499.62716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4)CC(=O)NC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1NC(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4)CC(=O)NC5=CC=CC=C5

InChI

InChI=1S/C28H29N5O2S/c34-26(29-22-10-5-2-6-11-22)20-32-15-13-23(14-16-32)30-28(35)24-19-33(18-21-8-3-1-4-9-21)31-27(24)25-12-7-17-36-25/h1-12,17,19,23H,13-16,18,20H2,(H,29,34)(H,30,35)