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

Systemtic Name: N-[5-[(3R,4S)-3,4-dimethyl-1-(phenylmethyl)piperidin-4-yl]-2-nitro-phenyl]methanamide Openeye Name: N-[5-[(3R,4S)-1-benzyl-3,4-dimethyl-4-piperidyl]-2-nitro-phenyl]formamide CAS Name: N-[5-[(3R,4S)-3,4-dimethyl-1-(phenylmethyl)-4-piperidinyl]-2-nitrophenyl]formamide IUPAC Name: N-[5-[(3R,4S)-1-benzyl-3,4-dimethylpiperidin-4-yl]-2-nitrophenyl]formamide Traditional Name: N-[5-[(3R,4S)-1-benzyl-3,4-dimethyl-4-piperidyl]-2-nitro-phenyl]formamide Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3/c1-16-13-23(14-17-6-4-3-5-7-17)11-10-21(16,2)18-8-9-20(24(26)27)19(12-18)22-15-25/h3-9,12,15-16H,10-11,13-14H2,1-2H3,(H,22,25)/t16-,21-/m0/s1