2-(3-nitrophenyl)-N-[1-(phenylmethyl)piperidin-4-yl]-5-thiophen-2-yl-pyrazole-3-carboxamide

Systemtic Name: 2-(3-nitrophenyl)-N-[1-(phenylmethyl)piperidin-4-yl]-5-thiophen-2-yl-pyrazole-3-carboxamide Openeye Name: N-(1-benzyl-4-piperidyl)-2-(3-nitrophenyl)-5-(2-thienyl)pyrazole-3-carboxamide CAS Name: 2-(3-nitrophenyl)-N-[1-(phenylmethyl)-4-piperidinyl]-5-thiophen-2-yl-3-pyrazolecarboxamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-2-(3-nitrophenyl)-5-thiophen-2-ylpyrazole-3-carboxamide Traditional Name: N-(1-benzyl-4-piperidyl)-2-(3-nitrophenyl)-5-(2-thienyl)pyrazole-3-carboxamide Formula: C26H25N5O3S MolecularWeight: 487.5734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C2=CC(=NN2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1NC(=O)C2=CC(=NN2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C26H25N5O3S/c32-26(27-20-11-13-29(14-12-20)18-19-6-2-1-3-7-19)24-17-23(25-10-5-15-35-25)28-30(24)21-8-4-9-22(16-21)31(33)34/h1-10,15-17,20H,11-14,18H2,(H,27,32)