(2S)-N-(4-methoxy-2-nitro-phenyl)-2-[(4-piperidin-1-ylphenyl)amino]propanamide

Systemtic Name: (2S)-N-(4-methoxy-2-nitro-phenyl)-2-[(4-piperidin-1-ylphenyl)amino]propanamide Openeye Name: (2S)-N-(4-methoxy-2-nitro-phenyl)-2-[4-(1-piperidyl)anilino]propanamide CAS Name: (2S)-N-(4-methoxy-2-nitrophenyl)-2-[4-(1-piperidinyl)anilino]propanamide IUPAC Name: (2S)-N-(4-methoxy-2-nitrophenyl)-2-(4-piperidin-1-ylanilino)propanamide Traditional Name: (2S)-N-(4-methoxy-2-nitro-phenyl)-2-(4-piperidinoanilino)propionamide Formula: C21H26N4O4 MolecularWeight: 398.45554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])NC2=CC=C(C=C2)N3CCCCC3

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])NC2=CC=C(C=C2)N3CCCCC3

InChI

InChI=1S/C21H26N4O4/c1-15(21(26)23-19-11-10-18(29-2)14-20(19)25(27)28)22-16-6-8-17(9-7-16)24-12-4-3-5-13-24/h6-11,14-15,22H,3-5,12-13H2,1-2H3,(H,23,26)/t15-/m0/s1