N-[5-[(3R,4S)-3,4-dimethyl-1-(phenylmethyl)piperidin-4-yl]-2-nitro-phenyl]ethanamide

Systemtic Name: N-[5-[(3R,4S)-3,4-dimethyl-1-(phenylmethyl)piperidin-4-yl]-2-nitro-phenyl]ethanamide Openeye Name: N-[5-[(3R,4S)-1-benzyl-3,4-dimethyl-4-piperidyl]-2-nitro-phenyl]acetamide CAS Name: N-[5-[(3R,4S)-3,4-dimethyl-1-(phenylmethyl)-4-piperidinyl]-2-nitrophenyl]acetamide IUPAC Name: N-[5-[(3R,4S)-1-benzyl-3,4-dimethylpiperidin-4-yl]-2-nitrophenyl]acetamide Traditional Name: N-[5-[(3R,4S)-1-benzyl-3,4-dimethyl-4-piperidyl]-2-nitro-phenyl]acetamide Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H]1CN(CC[C@]1(C)C2=CC(=C(C=C2)[N+](=O)[O-])NC(=O)C)CC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3/c1-16-14-24(15-18-7-5-4-6-8-18)12-11-22(16,3)19-9-10-21(25(27)28)20(13-19)23-17(2)26/h4-10,13,16H,11-12,14-15H2,1-3H3,(H,23,26)/t16-,22-/m0/s1