5-[3,4-dimethyl-1-(phenylmethyl)piperidin-4-yl]-2-nitro-benzamide

Systemtic Name: 5-[3,4-dimethyl-1-(phenylmethyl)piperidin-4-yl]-2-nitro-benzamide Openeye Name: 5-(1-benzyl-3,4-dimethyl-4-piperidyl)-2-nitro-benzamide CAS Name: 5-[3,4-dimethyl-1-(phenylmethyl)-4-piperidinyl]-2-nitrobenzamide IUPAC Name: 5-(1-benzyl-3,4-dimethylpiperidin-4-yl)-2-nitrobenzamide Traditional Name: 5-(1-benzyl-3,4-dimethyl-4-piperidyl)-2-nitro-benzamide Formula: C21H25N3O3 MolecularWeight: 367.4415

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCC1(C)C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)N)CC3=CC=CC=C3

Isomeric SMILES

CC1CN(CCC1(C)C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)N)CC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3/c1-15-13-23(14-16-6-4-3-5-7-16)11-10-21(15,2)17-8-9-19(24(26)27)18(12-17)20(22)25/h3-9,12,15H,10-11,13-14H2,1-2H3,(H2,22,25)