1-[(3S,4R)-3-ethyl-1-(phenylmethyl)piperidin-4-yl]-3-(2-nitrophenyl)propan-2-one

Systemtic Name: 1-[(3S,4R)-3-ethyl-1-(phenylmethyl)piperidin-4-yl]-3-(2-nitrophenyl)propan-2-one Openeye Name: 1-[(3S,4R)-1-benzyl-3-ethyl-4-piperidyl]-3-(2-nitrophenyl)propan-2-one CAS Name: 1-[(3S,4R)-3-ethyl-1-(phenylmethyl)-4-piperidinyl]-3-(2-nitrophenyl)-2-propanone IUPAC Name: 1-[(3S,4R)-1-benzyl-3-ethylpiperidin-4-yl]-3-(2-nitrophenyl)propan-2-one Traditional Name: 1-[(3S,4R)-1-benzyl-3-ethyl-4-piperidyl]-3-(2-nitrophenyl)acetone Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CCC1CC(=O)CC2=CC=CC=C2[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC[C@@H]1CN(CC[C@@H]1CC(=O)CC2=CC=CC=C2[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C23H28N2O3/c1-2-19-17-24(16-18-8-4-3-5-9-18)13-12-20(19)14-22(26)15-21-10-6-7-11-23(21)25(27)28/h3-11,19-20H,2,12-17H2,1H3/t19-,20-/m1/s1