N-[(2S)-2-(dimethylamino)-2-phenyl-ethyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[(2S)-2-(dimethylamino)-2-phenyl-ethyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[(2S)-2-(dimethylamino)-2-phenyl-ethyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[(2S)-2-(dimethylamino)-2-phenyl-ethyl]-3-nitro-4-piperidino-benzamide Formula: C22H28N4O3 MolecularWeight: 396.48272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1=CC(=C(C=C1)N2CCCCC2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CN(C)[C@H](CNC(=O)C1=CC(=C(C=C1)N2CCCCC2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C22H28N4O3/c1-24(2)21(17-9-5-3-6-10-17)16-23-22(27)18-11-12-19(20(15-18)26(28)29)25-13-7-4-8-14-25/h3,5-6,9-12,15,21H,4,7-8,13-14,16H2,1-2H3,(H,23,27)/t21-/m1/s1