2-[4-[(2-cyano-4-nitro-phenyl)amino]piperidin-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[(2-cyano-4-nitro-phenyl)amino]piperidin-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-(2-cyano-4-nitro-anilino)-1-piperidyl]-N-phenyl-acetamide CAS Name: 2-[4-(2-cyano-4-nitroanilino)-1-piperidinyl]-N-phenylacetamide IUPAC Name: 2-[4-(2-cyano-4-nitroanilino)piperidin-1-yl]-N-phenylacetamide Traditional Name: 2-[4-(2-cyano-4-nitro-anilino)piperidino]-N-phenyl-acetamide Formula: C20H21N5O3 MolecularWeight: 379.41244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H21N5O3/c21-13-15-12-18(25(27)28)6-7-19(15)22-17-8-10-24(11-9-17)14-20(26)23-16-4-2-1-3-5-16/h1-7,12,17,22H,8-11,14H2,(H,23,26)